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1207012-49-4 | "2-(5-amino-3-cyclopropyl-1H-pyrazol-1-yl)-3,4,5,6,7,8-hexahydroquinazolin-4-one"
CAS No: 1207012-49-4 Catalog No: AG01FMF9 MDL No:MFCD16631871
Product Description
Catalog Number:
AG01FMF9
Chemical Name:
"2-(5-amino-3-cyclopropyl-1H-pyrazol-1-yl)-3,4,5,6,7,8-hexahydroquinazolin-4-one"
CAS Number:
1207012-49-4
Molecular Formula:
C14H17N5O
Molecular Weight:
271.3177
MDL Number:
MFCD16631871
IUPAC Name:
2-(5-amino-3-cyclopropylpyrazol-1-yl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one
InChI:
InChI=1S/C14H17N5O/c15-12-7-11(8-5-6-8)18-19(12)14-16-10-4-2-1-3-9(10)13(20)17-14/h7-8H,1-6,15H2,(H,16,17,20)
InChI Key:
DYPJYJZRJDXRHU-UHFFFAOYSA-N
SMILES:
O=c1[nH]c(nc2c1CCCC2)n1nc(cc1N)C1CC1
Properties
Complexity:
508
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
271.143g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
271.324g/mol
Monoisotopic Mass:
271.143g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
85.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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