3-methyl-1-(1-methylpyrazol-4-yl)-5-[(2-phenylimidazol-1-yl)methyl]-1,2,4-triazole

C17H17N7 — CID 138386501

IUPAC3-methyl-1-(1-methylpyrazol-4-yl)-5-[(2-phenylimidazol-1-yl)methyl]-1,2,4-triazole
SMILESCc1nc(Cn2ccnc2-c2ccccc2)n(-c2cnn(C)c2)n1
InChIInChI=1S/C17H17N7/c1-13-20-16(24(21-13)15-10-19-22(2)11-15)12-23-9-8-18-17(23)14-6-4-3-5-7-14/h3-11H,12H2,1-2H3
InChIKeyWSIFLLGERKLFJI-UHFFFAOYSA-N
MW319.37 g/mol
LogP2.22
Rot. Bonds4

About 3-methyl-1-(1-methylpyrazol-4-yl)-5-[(2-phenylimidazol-1-yl)methyl]-1,2,4-triazole

3-methyl-1-(1-methylpyrazol-4-yl)-5-[(2-phenylimidazol-1-yl)methyl]-1,2,4-triazole (PubChem CID 138386501) has the molecular formula C17H17N7 and a molecular weight of 319.37 g/mol. Its IUPAC name is 3-methyl-1-(1-methylpyrazol-4-yl)-5-[(2-phenylimidazol-1-yl)methyl]-1,2,4-triazole.

Molecular Properties

Compound Name3-methyl-1-(1-methylpyrazol-4-yl)-5-[(2-phenylimidazol-1-yl)methyl]-1,2,4-triazole
PubChem CID138386501
Molecular FormulaC17H17N7
Molecular Weight319.37 g/mol
Exact Mass319.15
IUPAC Name3-methyl-1-(1-methylpyrazol-4-yl)-5-[(2-phenylimidazol-1-yl)methyl]-1,2,4-triazole
SMILESCc1nc(Cn2ccnc2-c2ccccc2)n(-c2cnn(C)c2)n1
InChIInChI=1S/C17H17N7/c1-13-20-16(24(21-13)15-10-19-22(2)11-15)12-23-9-8-18-17(23)14-6-4-3-5-7-14/h3-11H,12H2,1-2H3
InChIKeyWSIFLLGERKLFJI-UHFFFAOYSA-N
XLogP2.22
TPSA66.35 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.37
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-methyl-4-[(2-phenylimidazol-1-yl)methyl]pyrazole
CID 155917955
4-[(2-phenylimidazol-1-yl)methyl]pyridine
CID 67150298
1-[(4-chlorophenyl)methyl]-2-phenylimidazole
CID 3042995
N-methyl-5-[(2-phenylimidazol-1-yl)methyl]pyridin-2-amine
CID 62194346
1-benzyl-2-phenylimidazole;formic acid
CID 158419728
1-(2,2-dimethylpropyl)-2-phenylimidazole
CID 21060212
1-methyl-4-[2-[2-(2-phenylpyrazol-3-yl)imidazol-1-yl]ethyl]pyrazole
CID 146044354
[3-[(2-phenylimidazol-1-yl)methyl]phenyl]methanamine
CID 61069749
3-[(2-phenylimidazol-1-yl)methyl]benzonitrile
CID 61071786
1-methyl-4-[(2-methylimidazol-1-yl)methyl]pyrazole
CID 62403698
1-(3-bromopropyl)-2-phenylimidazole
CID 61069567
methyl 2-[4-[2-(2-phenylimidazol-1-yl)ethyl]piperazin-1-yl]acetate
CID 90560846

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(1-methylpyrazol-4-yl)-5-[(2-phenylimidazol-1-yl)methyl]-1,2,4-triazole?
The IUPAC name of 3-methyl-1-(1-methylpyrazol-4-yl)-5-[(2-phenylimidazol-1-yl)methyl]-1,2,4-triazole (CID 138386501) is 3-methyl-1-(1-methylpyrazol-4-yl)-5-[(2-phenylimidazol-1-yl)methyl]-1,2,4-triazole.
What is the SMILES notation for 3-methyl-1-(1-methylpyrazol-4-yl)-5-[(2-phenylimidazol-1-yl)methyl]-1,2,4-triazole?
The canonical SMILES for 3-methyl-1-(1-methylpyrazol-4-yl)-5-[(2-phenylimidazol-1-yl)methyl]-1,2,4-triazole is Cc1nc(Cn2ccnc2-c2ccccc2)n(-c2cnn(C)c2)n1.
What is the InChIKey of 3-methyl-1-(1-methylpyrazol-4-yl)-5-[(2-phenylimidazol-1-yl)methyl]-1,2,4-triazole?
The InChIKey is WSIFLLGERKLFJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N7/c1-13-20-16(24(21-13)15-10-19-22(2)11-15)12-23-9-8-18-17(23)14-6-4-3-5-7-14/h3-11H,12H2,1-2H3.
What are the key properties of 3-methyl-1-(1-methylpyrazol-4-yl)-5-[(2-phenylimidazol-1-yl)methyl]-1,2,4-triazole?
3-methyl-1-(1-methylpyrazol-4-yl)-5-[(2-phenylimidazol-1-yl)methyl]-1,2,4-triazole has a molecular weight of 319.37 g/mol, XLogP of 2.22, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(1-methylpyrazol-4-yl)-5-[(2-phenylimidazol-1-yl)methyl]-1,2,4-triazole is sourced from PubChem (CID 138386501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).