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80765-93-1 | 2H-Cyclopenta[3,4]pyrazolo[1,5-a]pyrimidine(9CI)
CAS No: 80765-93-1 Catalog No: AG0051F9 MDL No:
Product Description
Catalog Number:
AG0051F9
Chemical Name:
2H-Cyclopenta[3,4]pyrazolo[1,5-a]pyrimidine(9CI)
CAS Number:
80765-93-1
Molecular Formula:
C9H7N3
Molecular Weight:
157.1720
IUPAC Name:
7,8,12-triazatricyclo[6.4.0.02,6]dodeca-1(12),2,4,6,9-pentaene
InChI:
InChI=1S/C9H7N3/c1-3-7-8(4-1)11-12-6-2-5-10-9(7)12/h1-4,6H,5H2
InChI Key:
OQDXNWZQYOTALX-UHFFFAOYSA-N
SMILES:
C1C=Cn2c(=N1)c1=CC=Cc1n2
Properties
Complexity:
383
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
157.064g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
157.176g/mol
Monoisotopic Mass:
157.064g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
28A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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