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

C8H11N5 — CID 89030511

IUPAC3-ethyl-4-(1-methylpyrazol-3-yl)-1,2,4-triazole
SMILESCCc1nncn1-c1ccn(C)n1
InChIInChI=1S/C8H11N5/c1-3-7-10-9-6-13(7)8-4-5-12(2)11-8/h4-6H,3H2,1-2H3
InChIKeyJUHKMHNCETZOMY-UHFFFAOYSA-N
MW177.21 g/mol
LogP0.56
Rot. Bonds2

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

3-ethyl-4-(1-methylpyrazol-3-yl)-1,2,4-triazole (PubChem CID 89030511) has the molecular formula C8H11N5 and a molecular weight of 177.21 g/mol. Its IUPAC name is 3-ethyl-4-(1-methylpyrazol-3-yl)-1,2,4-triazole.

Molecular Properties

Compound Name3-ethyl-4-(1-methylpyrazol-3-yl)-1,2,4-triazole
PubChem CID89030511
Molecular FormulaC8H11N5
Molecular Weight177.21 g/mol
Exact Mass177.10
IUPAC Name3-ethyl-4-(1-methylpyrazol-3-yl)-1,2,4-triazole
SMILESCCc1nncn1-c1ccn(C)n1
InChIInChI=1S/C8H11N5/c1-3-7-10-9-6-13(7)8-4-5-12(2)11-8/h4-6H,3H2,1-2H3
InChIKeyJUHKMHNCETZOMY-UHFFFAOYSA-N
XLogP0.56
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.21
LogP ≤ 50.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-(1-methylpyrazol-3-yl)-1,2,4-triazole?
The IUPAC name of 3-ethyl-4-(1-methylpyrazol-3-yl)-1,2,4-triazole (CID 89030511) is 3-ethyl-4-(1-methylpyrazol-3-yl)-1,2,4-triazole.
What is the SMILES notation for 3-ethyl-4-(1-methylpyrazol-3-yl)-1,2,4-triazole?
The canonical SMILES for 3-ethyl-4-(1-methylpyrazol-3-yl)-1,2,4-triazole is CCc1nncn1-c1ccn(C)n1.
What is the InChIKey of 3-ethyl-4-(1-methylpyrazol-3-yl)-1,2,4-triazole?
The InChIKey is JUHKMHNCETZOMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N5/c1-3-7-10-9-6-13(7)8-4-5-12(2)11-8/h4-6H,3H2,1-2H3.
What are the key properties of 3-ethyl-4-(1-methylpyrazol-3-yl)-1,2,4-triazole?
3-ethyl-4-(1-methylpyrazol-3-yl)-1,2,4-triazole has a molecular weight of 177.21 g/mol, XLogP of 0.56, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-(1-methylpyrazol-3-yl)-1,2,4-triazole is sourced from PubChem (CID 89030511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).