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1422069-78-0 | 1-methyl-N-(6,7,8,9-tetrahydro-5H-imidazo[1,2-d][1,4]diazepin-3-ylmethyl)pyrazole-4-carboxamide
CAS No: 1422069-78-0 Catalog No: AG01DIIW MDL No:
Product Description
Catalog Number:
AG01DIIW
Chemical Name:
1-methyl-N-(6,7,8,9-tetrahydro-5H-imidazo[1,2-d][1,4]diazepin-3-ylmethyl)pyrazole-4-carboxamide
CAS Number:
1422069-78-0
Molecular Formula:
C13H18N6O
Molecular Weight:
274.3216
IUPAC Name:
1-methyl-N-(6,7,8,9-tetrahydro-5H-imidazo[1,2-d][1,4]diazepin-3-ylmethyl)pyrazole-4-carboxamide
InChI:
InChI=1S/C13H18N6O/c1-18-9-10(6-17-18)13(20)16-8-11-7-15-12-2-3-14-4-5-19(11)12/h6-7,9,14H,2-5,8H2,1H3,(H,16,20)
InChI Key:
ISSAIFUEHHGYMF-UHFFFAOYSA-N
SMILES:
Cn1ncc(c1)C(=O)NCc1cnc2n1CCNCC2
Properties
Complexity:
352
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
274.154g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
274.328g/mol
Monoisotopic Mass:
274.154g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
76.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.3
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