4-methyl-3-(2-methylpropyl)-1,2,4-triazole

C7H13N3 — CID 59871596

IUPAC4-methyl-3-(2-methylpropyl)-1,2,4-triazole
SMILESCC(C)Cc1nncn1C
InChIInChI=1S/C7H13N3/c1-6(2)4-7-9-8-5-10(7)3/h5-6H,4H2,1-3H3
InChIKeyYSKGKUCHSTXLMM-UHFFFAOYSA-N
MW139.20 g/mol
LogP1.01
Rot. Bonds2

About 4-methyl-3-(2-methylpropyl)-1,2,4-triazole

4-methyl-3-(2-methylpropyl)-1,2,4-triazole (PubChem CID 59871596) has the molecular formula C7H13N3 and a molecular weight of 139.20 g/mol. Its IUPAC name is 4-methyl-3-(2-methylpropyl)-1,2,4-triazole.

Molecular Properties

Compound Name4-methyl-3-(2-methylpropyl)-1,2,4-triazole
PubChem CID59871596
Molecular FormulaC7H13N3
Molecular Weight139.20 g/mol
Exact Mass139.11
IUPAC Name4-methyl-3-(2-methylpropyl)-1,2,4-triazole
SMILESCC(C)Cc1nncn1C
InChIInChI=1S/C7H13N3/c1-6(2)4-7-9-8-5-10(7)3/h5-6H,4H2,1-3H3
InChIKeyYSKGKUCHSTXLMM-UHFFFAOYSA-N
XLogP1.01
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-(2-methylpropyl)-1,2,4-triazole?
The IUPAC name of 4-methyl-3-(2-methylpropyl)-1,2,4-triazole (CID 59871596) is 4-methyl-3-(2-methylpropyl)-1,2,4-triazole.
What is the SMILES notation for 4-methyl-3-(2-methylpropyl)-1,2,4-triazole?
The canonical SMILES for 4-methyl-3-(2-methylpropyl)-1,2,4-triazole is CC(C)Cc1nncn1C.
What is the InChIKey of 4-methyl-3-(2-methylpropyl)-1,2,4-triazole?
The InChIKey is YSKGKUCHSTXLMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3/c1-6(2)4-7-9-8-5-10(7)3/h5-6H,4H2,1-3H3.
What are the key properties of 4-methyl-3-(2-methylpropyl)-1,2,4-triazole?
4-methyl-3-(2-methylpropyl)-1,2,4-triazole has a molecular weight of 139.20 g/mol, XLogP of 1.01, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-(2-methylpropyl)-1,2,4-triazole is sourced from PubChem (CID 59871596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).