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7008-85-7 | 5-Diazoimidazole-4-carboxamide
CAS No: 7008-85-7 Catalog No: AG006CSB MDL No:MFCD01721724
Product Description
Catalog Number:
AG006CSB
Chemical Name:
5-Diazoimidazole-4-carboxamide
CAS Number:
7008-85-7
Molecular Formula:
C4H3N5O
Molecular Weight:
137.0995
MDL Number:
MFCD01721724
IUPAC Name:
5-diazoimidazole-4-carboxamide
InChI:
InChI=1S/C4H3N5O/c5-3(10)2-4(9-6)8-1-7-2/h1H,(H2,5,10)
InChI Key:
IKZLMSPFYNDYIL-UHFFFAOYSA-N
SMILES:
N#[N+]C1=NC=N/C/1=C(/N)\[O-]
EC Number:
230-284-3
UNII:
XLJ646260P
Properties
Complexity:
282
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
137.034g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
137.102g/mol
Monoisotopic Mass:
137.034g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
69.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
-0.7
Literature
| Title | Journal |
|---|---|
| Antitumor imidazotetrazines. 40. Radiosyntheses of [4-11C-carbonyl]- and [3-N-11C-methyl]-8-carbamoyl-3-methylimidazo[5,1-d]-1,2,3,5-tetrazin-4(3H)-one (temozolomide) for positron emission tomography (PET) studies. | Journal of medicinal chemistry 20021205 |
| Causative agent of vascular pain among photodegradation products of dacarbazine. | The Journal of pharmacy and pharmacology 20020801 |
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