4-(2,5-dimethylpyrazol-3-yl)-3-(1-ethyl-3-methylpyrazol-4-yl)-1,2,4-triazole

C13H17N7 — CID 56709973

IUPAC4-(2,5-dimethylpyrazol-3-yl)-3-(1-ethyl-3-methylpyrazol-4-yl)-1,2,4-triazole
SMILESCCn1cc(-c2nncn2-c2cc(C)nn2C)c(C)n1
InChIInChI=1S/C13H17N7/c1-5-19-7-11(10(3)17-19)13-15-14-8-20(13)12-6-9(2)16-18(12)4/h6-8H,5H2,1-4H3
InChIKeyZXGHXTMOKSDIGT-UHFFFAOYSA-N
MW271.33 g/mol
LogP1.50
Rot. Bonds3

About 4-(2,5-dimethylpyrazol-3-yl)-3-(1-ethyl-3-methylpyrazol-4-yl)-1,2,4-triazole

4-(2,5-dimethylpyrazol-3-yl)-3-(1-ethyl-3-methylpyrazol-4-yl)-1,2,4-triazole (PubChem CID 56709973) has the molecular formula C13H17N7 and a molecular weight of 271.33 g/mol. Its IUPAC name is 4-(2,5-dimethylpyrazol-3-yl)-3-(1-ethyl-3-methylpyrazol-4-yl)-1,2,4-triazole.

Molecular Properties

Compound Name4-(2,5-dimethylpyrazol-3-yl)-3-(1-ethyl-3-methylpyrazol-4-yl)-1,2,4-triazole
PubChem CID56709973
Molecular FormulaC13H17N7
Molecular Weight271.33 g/mol
Exact Mass271.15
IUPAC Name4-(2,5-dimethylpyrazol-3-yl)-3-(1-ethyl-3-methylpyrazol-4-yl)-1,2,4-triazole
SMILESCCn1cc(-c2nncn2-c2cc(C)nn2C)c(C)n1
InChIInChI=1S/C13H17N7/c1-5-19-7-11(10(3)17-19)13-15-14-8-20(13)12-6-9(2)16-18(12)4/h6-8H,5H2,1-4H3
InChIKeyZXGHXTMOKSDIGT-UHFFFAOYSA-N
XLogP1.50
TPSA66.35 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.33
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dimethylpyrazol-3-yl)-3-(1-ethyl-3-methylpyrazol-4-yl)-1,2,4-triazole?
The IUPAC name of 4-(2,5-dimethylpyrazol-3-yl)-3-(1-ethyl-3-methylpyrazol-4-yl)-1,2,4-triazole (CID 56709973) is 4-(2,5-dimethylpyrazol-3-yl)-3-(1-ethyl-3-methylpyrazol-4-yl)-1,2,4-triazole.
What is the SMILES notation for 4-(2,5-dimethylpyrazol-3-yl)-3-(1-ethyl-3-methylpyrazol-4-yl)-1,2,4-triazole?
The canonical SMILES for 4-(2,5-dimethylpyrazol-3-yl)-3-(1-ethyl-3-methylpyrazol-4-yl)-1,2,4-triazole is CCn1cc(-c2nncn2-c2cc(C)nn2C)c(C)n1.
What is the InChIKey of 4-(2,5-dimethylpyrazol-3-yl)-3-(1-ethyl-3-methylpyrazol-4-yl)-1,2,4-triazole?
The InChIKey is ZXGHXTMOKSDIGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N7/c1-5-19-7-11(10(3)17-19)13-15-14-8-20(13)12-6-9(2)16-18(12)4/h6-8H,5H2,1-4H3.
What are the key properties of 4-(2,5-dimethylpyrazol-3-yl)-3-(1-ethyl-3-methylpyrazol-4-yl)-1,2,4-triazole?
4-(2,5-dimethylpyrazol-3-yl)-3-(1-ethyl-3-methylpyrazol-4-yl)-1,2,4-triazole has a molecular weight of 271.33 g/mol, XLogP of 1.50, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dimethylpyrazol-3-yl)-3-(1-ethyl-3-methylpyrazol-4-yl)-1,2,4-triazole is sourced from PubChem (CID 56709973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).