3-(2-methylpyrazol-3-yl)-4-phenyl-1,2,4-triazole

C12H11N5 — CID 115393303

IUPAC3-(2-methylpyrazol-3-yl)-4-phenyl-1,2,4-triazole
SMILESCn1nccc1-c1nncn1-c1ccccc1
InChIInChI=1S/C12H11N5/c1-16-11(7-8-14-16)12-15-13-9-17(12)10-5-3-2-4-6-10/h2-9H,1H3
InChIKeyMSEHVAZAKXVBQC-UHFFFAOYSA-N
MW225.26 g/mol
LogP1.67
Rot. Bonds2

About 3-(2-methylpyrazol-3-yl)-4-phenyl-1,2,4-triazole

3-(2-methylpyrazol-3-yl)-4-phenyl-1,2,4-triazole (PubChem CID 115393303) has the molecular formula C12H11N5 and a molecular weight of 225.26 g/mol. Its IUPAC name is 3-(2-methylpyrazol-3-yl)-4-phenyl-1,2,4-triazole.

Molecular Properties

Compound Name3-(2-methylpyrazol-3-yl)-4-phenyl-1,2,4-triazole
PubChem CID115393303
Molecular FormulaC12H11N5
Molecular Weight225.26 g/mol
Exact Mass225.10
IUPAC Name3-(2-methylpyrazol-3-yl)-4-phenyl-1,2,4-triazole
SMILESCn1nccc1-c1nncn1-c1ccccc1
InChIInChI=1S/C12H11N5/c1-16-11(7-8-14-16)12-15-13-9-17(12)10-5-3-2-4-6-10/h2-9H,1H3
InChIKeyMSEHVAZAKXVBQC-UHFFFAOYSA-N
XLogP1.67
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.26
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-methyl-4-(4-phenyl-1,2,4-triazol-3-yl)pyrazol-5-amine
CID 62709739
2-methyl-4-(4-phenyl-1,2,4-triazol-3-yl)pyridine
CID 106754498
3-(3,4-difluorophenyl)-4-phenyl-1,2,4-triazole
CID 115393413
3-(2-methylpyrazol-3-yl)-1-phenylpyrazol-4-amine
CID 106758594
3-(3,5-dimethoxyphenyl)-4-phenyl-1,2,4-triazole
CID 115393476
3-(3,5-dichlorophenyl)-4-phenyl-1,2,4-triazole
CID 115393385
3-(4,5-dibromothiophen-2-yl)-4-phenyl-1,2,4-triazole
CID 113300923
4-(4-phenyl-1,2,4-triazol-3-yl)quinoline
CID 115393321
1-(4-phenyl-1,2,4-triazol-3-yl)ethanone
CID 83383500
4-phenyl-1,2,4-triazol-3-amine
CID 12949094
2-(4-phenyl-1,2,4-triazol-3-yl)quinoline
CID 115393314
4-methyl-2-(2-methylpyrazol-3-yl)-6-(4-methyl-1,2,4-triazol-3-yl)quinoline
CID 169413934

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpyrazol-3-yl)-4-phenyl-1,2,4-triazole?
The IUPAC name of 3-(2-methylpyrazol-3-yl)-4-phenyl-1,2,4-triazole (CID 115393303) is 3-(2-methylpyrazol-3-yl)-4-phenyl-1,2,4-triazole.
What is the SMILES notation for 3-(2-methylpyrazol-3-yl)-4-phenyl-1,2,4-triazole?
The canonical SMILES for 3-(2-methylpyrazol-3-yl)-4-phenyl-1,2,4-triazole is Cn1nccc1-c1nncn1-c1ccccc1.
What is the InChIKey of 3-(2-methylpyrazol-3-yl)-4-phenyl-1,2,4-triazole?
The InChIKey is MSEHVAZAKXVBQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5/c1-16-11(7-8-14-16)12-15-13-9-17(12)10-5-3-2-4-6-10/h2-9H,1H3.
What are the key properties of 3-(2-methylpyrazol-3-yl)-4-phenyl-1,2,4-triazole?
3-(2-methylpyrazol-3-yl)-4-phenyl-1,2,4-triazole has a molecular weight of 225.26 g/mol, XLogP of 1.67, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpyrazol-3-yl)-4-phenyl-1,2,4-triazole is sourced from PubChem (CID 115393303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).