3-[(5-amino-1,3-dimethylimidazo[4,5-d]pyrazol-6-yl)methyl]benzonitrile

C14H14N6 — CID 79297433

IUPAC3-[(5-amino-1,3-dimethylimidazo[4,5-d]pyrazol-6-yl)methyl]benzonitrile
SMILESCc1nn(C)c2c1nc(N)n2Cc1cccc(C#N)c1
InChIInChI=1S/C14H14N6/c1-9-12-13(19(2)18-9)20(14(16)17-12)8-11-5-3-4-10(6-11)7-15/h3-6H,8H2,1-2H3,(H2,16,17)
InChIKeyYZWUVJLYTIZUIP-UHFFFAOYSA-N
MW266.31 g/mol
LogP1.58
Rot. Bonds2

About 3-[(5-amino-1,3-dimethylimidazo[4,5-d]pyrazol-6-yl)methyl]benzonitrile

3-[(5-amino-1,3-dimethylimidazo[4,5-d]pyrazol-6-yl)methyl]benzonitrile (PubChem CID 79297433) has the molecular formula C14H14N6 and a molecular weight of 266.31 g/mol. Its IUPAC name is 3-[(5-amino-1,3-dimethylimidazo[4,5-d]pyrazol-6-yl)methyl]benzonitrile.

Molecular Properties

Compound Name3-[(5-amino-1,3-dimethylimidazo[4,5-d]pyrazol-6-yl)methyl]benzonitrile
PubChem CID79297433
Molecular FormulaC14H14N6
Molecular Weight266.31 g/mol
Exact Mass266.13
IUPAC Name3-[(5-amino-1,3-dimethylimidazo[4,5-d]pyrazol-6-yl)methyl]benzonitrile
SMILESCc1nn(C)c2c1nc(N)n2Cc1cccc(C#N)c1
InChIInChI=1S/C14H14N6/c1-9-12-13(19(2)18-9)20(14(16)17-12)8-11-5-3-4-10(6-11)7-15/h3-6H,8H2,1-2H3,(H2,16,17)
InChIKeyYZWUVJLYTIZUIP-UHFFFAOYSA-N
XLogP1.58
TPSA85.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.31
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1,3-dimethyl-6-[2-(3-methylphenyl)ethyl]imidazo[4,5-d]pyrazol-5-amine
CID 79297502
1,3-dimethyl-6-(thiophen-3-ylmethyl)imidazo[4,5-d]pyrazol-5-amine
CID 79297435
6-[(3-chlorophenyl)methyl]-3-ethyl-1-methylimidazo[4,5-d]pyrazol-5-amine
CID 79299647
3-[(5-amino-2-methylbenzimidazol-1-yl)methyl]benzonitrile
CID 62506230
3-[(2-amino-5-fluorobenzimidazol-1-yl)methyl]benzonitrile
CID 62314956
3-[5-(1-chloroethyl)-1,3-dimethylimidazo[4,5-d]pyrazol-6-yl]benzonitrile
CID 79275260
ethyl 5-amino-1-[(3-cyanophenyl)methyl]-2-methylimidazole-4-carboxylate
CID 62314775
6-[3-(methoxymethyl)phenyl]-1,3-dimethylimidazo[4,5-d]pyrazol-5-amine
CID 79296857
1,3-dimethyl-6-(2-methylsulfanylethyl)imidazo[4,5-d]pyrazol-5-amine
CID 79296796
1,3-dimethyl-6-(2,3,3-trimethylbutyl)imidazo[4,5-d]pyrazol-5-amine
CID 83144563
3-[(5,6-dimethyl-2-propylbenzimidazol-1-yl)methyl]benzonitrile
CID 39157845
3-[(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)methyl]benzonitrile
CID 79367415

Frequently Asked Questions

What is the IUPAC name of 3-[(5-amino-1,3-dimethylimidazo[4,5-d]pyrazol-6-yl)methyl]benzonitrile?
The IUPAC name of 3-[(5-amino-1,3-dimethylimidazo[4,5-d]pyrazol-6-yl)methyl]benzonitrile (CID 79297433) is 3-[(5-amino-1,3-dimethylimidazo[4,5-d]pyrazol-6-yl)methyl]benzonitrile.
What is the SMILES notation for 3-[(5-amino-1,3-dimethylimidazo[4,5-d]pyrazol-6-yl)methyl]benzonitrile?
The canonical SMILES for 3-[(5-amino-1,3-dimethylimidazo[4,5-d]pyrazol-6-yl)methyl]benzonitrile is Cc1nn(C)c2c1nc(N)n2Cc1cccc(C#N)c1.
What is the InChIKey of 3-[(5-amino-1,3-dimethylimidazo[4,5-d]pyrazol-6-yl)methyl]benzonitrile?
The InChIKey is YZWUVJLYTIZUIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N6/c1-9-12-13(19(2)18-9)20(14(16)17-12)8-11-5-3-4-10(6-11)7-15/h3-6H,8H2,1-2H3,(H2,16,17).
What are the key properties of 3-[(5-amino-1,3-dimethylimidazo[4,5-d]pyrazol-6-yl)methyl]benzonitrile?
3-[(5-amino-1,3-dimethylimidazo[4,5-d]pyrazol-6-yl)methyl]benzonitrile has a molecular weight of 266.31 g/mol, XLogP of 1.58, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-amino-1,3-dimethylimidazo[4,5-d]pyrazol-6-yl)methyl]benzonitrile is sourced from PubChem (CID 79297433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).