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748776-75-2 | 1H-1,2,4-Triazolo[4',3':1,5]pyrazolo[4,3-d]pyrimidine(9CI)
CAS No: 748776-75-2 Catalog No: AG005GMM MDL No:
Product Description
Catalog Number:
AG005GMM
Chemical Name:
1H-1,2,4-Triazolo[4',3':1,5]pyrazolo[4,3-d]pyrimidine(9CI)
CAS Number:
748776-75-2
Molecular Formula:
C6H4N6
Molecular Weight:
160.1362
IUPAC Name:
3,4,6,7,10,12-hexazatricyclo[6.4.0.02,6]dodeca-1(12),2,4,8,10-pentaene
InChI:
InChI=1S/C6H4N6/c1-4-5(8-2-7-1)6-10-9-3-12(6)11-4/h1-3,11H
InChI Key:
OROOLLBEZDULCG-UHFFFAOYSA-N
SMILES:
c1ncc2c(n1)c1[nH]ncn1n2
Properties
Complexity:
185
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
160.05g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
160.14g/mol
Monoisotopic Mass:
160.05g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
71.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
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