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162009-79-2 | Imidazo[4,5-e][1,3]diazepine-4,6,8-triamine
CAS No: 162009-79-2 Catalog No: AG001SMV MDL No:MFCD03012562
Product Description
Catalog Number:
AG001SMV
Chemical Name:
Imidazo[4,5-e][1,3]diazepine-4,6,8-triamine
CAS Number:
162009-79-2
Molecular Formula:
C6H7N7
Molecular Weight:
177.1667
MDL Number:
MFCD03012562
IUPAC Name:
6-imino-1H-imidazo[4,5-e][1,3]diazepine-4,8-diamine
InChI:
InChI=1S/C6H7N7/c7-4-2-3(11-1-10-2)5(8)13-6(9)12-4/h1H,(H,10,11)(H5,7,8,9,12,13)
InChI Key:
XVKXPQNAFRQJKC-UHFFFAOYSA-N
SMILES:
Nc1nc(N)c2c(c(n1)N)ncn2
Properties
Complexity:
304
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
177.076g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
177.171g/mol
Monoisotopic Mass:
177.076g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
129A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.4
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