1-(2,4,5-trimethylpyrazol-3-yl)-1,2,4-triazole

C8H11N5 — CID 147889927

IUPAC1-(2,4,5-trimethylpyrazol-3-yl)-1,2,4-triazole
SMILESCc1nn(C)c(-n2cncn2)c1C
InChIInChI=1S/C8H11N5/c1-6-7(2)11-12(3)8(6)13-5-9-4-10-13/h4-5H,1-3H3
InChIKeyICBPJTHQKFDFOI-UHFFFAOYSA-N
MW177.21 g/mol
LogP0.62
Rot. Bonds1

About 1-(2,4,5-trimethylpyrazol-3-yl)-1,2,4-triazole

1-(2,4,5-trimethylpyrazol-3-yl)-1,2,4-triazole (PubChem CID 147889927) has the molecular formula C8H11N5 and a molecular weight of 177.21 g/mol. Its IUPAC name is 1-(2,4,5-trimethylpyrazol-3-yl)-1,2,4-triazole.

Molecular Properties

Compound Name1-(2,4,5-trimethylpyrazol-3-yl)-1,2,4-triazole
PubChem CID147889927
Molecular FormulaC8H11N5
Molecular Weight177.21 g/mol
Exact Mass177.10
IUPAC Name1-(2,4,5-trimethylpyrazol-3-yl)-1,2,4-triazole
SMILESCc1nn(C)c(-n2cncn2)c1C
InChIInChI=1S/C8H11N5/c1-6-7(2)11-12(3)8(6)13-5-9-4-10-13/h4-5H,1-3H3
InChIKeyICBPJTHQKFDFOI-UHFFFAOYSA-N
XLogP0.62
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.21
LogP ≤ 50.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N'-hydroxy-1,3-dimethyl-5-(1,2,4-triazol-1-yl)pyrazole-4-carboximidamide
CID 76952015
1-(1-methyl-4-nitro-3-propylpyrazol-5-yl)-1,2,4-triazole
CID 66018336
1-(2,4,5-trimethylpyrazol-3-yl)cyclopent-3-en-1-amine
CID 82403177
5-chloro-N-[1,3-dimethyl-5-(1,2,4-triazol-1-yl)pyrazol-4-yl]-2-methyl-1-benzothiophene-3-sulfonamide
CID 167796105
N,5-dimethyl-6-(1,2,4-triazol-1-yl)pyrimidin-4-amine
CID 80854317
1-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,6-dimethylphenyl]-1,2,4-triazole
CID 173038498
4-(bromomethyl)-5-(4-chloropyrazol-1-yl)-1,3-dimethylpyrazole
CID 107085845
5-methyl-2-(1,2,4-triazol-1-yl)-1,3-thiazole
CID 58458813
N-[1,3-dimethyl-5-(1,2,4-triazol-1-yl)pyrazol-4-yl]-4-fluoro-3-morpholin-4-ylsulfonylbenzamide
CID 51133711
N-[(1-methylimidazol-2-yl)methyl]-2-(1,2,4-triazol-1-yl)aniline
CID 62357772
2-oxo-N-[2-(1,2,4-triazol-1-yl)phenyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 134004336
1-methyl-3-nitro-5-(1,2,4-triazol-1-yl)-1,2,4-triazole
CID 12570974

Frequently Asked Questions

What is the IUPAC name of 1-(2,4,5-trimethylpyrazol-3-yl)-1,2,4-triazole?
The IUPAC name of 1-(2,4,5-trimethylpyrazol-3-yl)-1,2,4-triazole (CID 147889927) is 1-(2,4,5-trimethylpyrazol-3-yl)-1,2,4-triazole.
What is the SMILES notation for 1-(2,4,5-trimethylpyrazol-3-yl)-1,2,4-triazole?
The canonical SMILES for 1-(2,4,5-trimethylpyrazol-3-yl)-1,2,4-triazole is Cc1nn(C)c(-n2cncn2)c1C.
What is the InChIKey of 1-(2,4,5-trimethylpyrazol-3-yl)-1,2,4-triazole?
The InChIKey is ICBPJTHQKFDFOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N5/c1-6-7(2)11-12(3)8(6)13-5-9-4-10-13/h4-5H,1-3H3.
What are the key properties of 1-(2,4,5-trimethylpyrazol-3-yl)-1,2,4-triazole?
1-(2,4,5-trimethylpyrazol-3-yl)-1,2,4-triazole has a molecular weight of 177.21 g/mol, XLogP of 0.62, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4,5-trimethylpyrazol-3-yl)-1,2,4-triazole is sourced from PubChem (CID 147889927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).