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30855-46-0 | Pyrimido[5,4-e]-1,2,4-triazin-5-amine, 3-(methoxymethyl)-
CAS No: 30855-46-0 Catalog No: AG0031HQ MDL No:
Product Description
Catalog Number:
AG0031HQ
Chemical Name:
Pyrimido[5,4-e]-1,2,4-triazin-5-amine, 3-(methoxymethyl)-
CAS Number:
30855-46-0
Molecular Formula:
C7H8N6O
Molecular Weight:
192.1780
IUPAC Name:
3-(methoxymethyl)pyrimido[5,4-e][1,2,4]triazin-5-amine
InChI:
InChI=1S/C7H8N6O/c1-14-2-4-11-5-6(8)9-3-10-7(5)13-12-4/h3H,2H2,1H3,(H2,8,9,10,13)
InChI Key:
HBINRSMRJVEIPK-UHFFFAOYSA-N
SMILES:
COCc1nnc2c(n1)c(N)ncn2
NSC Number:
101620
Properties
Complexity:
191
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
192.076g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
192.182g/mol
Monoisotopic Mass:
192.076g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
99.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.4
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