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

C10H19N3 — CID 138656366

IUPAC3-(3,4-dimethylpentyl)-4-methyl-1,2,4-triazole
SMILESCC(C)C(C)CCc1nncn1C
InChIInChI=1S/C10H19N3/c1-8(2)9(3)5-6-10-12-11-7-13(10)4/h7-9H,5-6H2,1-4H3
InChIKeyIVFFGYMRWNPGQX-UHFFFAOYSA-N
MW181.28 g/mol
LogP2.04
Rot. Bonds4

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

3-(3,4-dimethylpentyl)-4-methyl-1,2,4-triazole (PubChem CID 138656366) has the molecular formula C10H19N3 and a molecular weight of 181.28 g/mol. Its IUPAC name is 3-(3,4-dimethylpentyl)-4-methyl-1,2,4-triazole.

Molecular Properties

Compound Name3-(3,4-dimethylpentyl)-4-methyl-1,2,4-triazole
PubChem CID138656366
Molecular FormulaC10H19N3
Molecular Weight181.28 g/mol
Exact Mass181.16
IUPAC Name3-(3,4-dimethylpentyl)-4-methyl-1,2,4-triazole
SMILESCC(C)C(C)CCc1nncn1C
InChIInChI=1S/C10H19N3/c1-8(2)9(3)5-6-10-12-11-7-13(10)4/h7-9H,5-6H2,1-4H3
InChIKeyIVFFGYMRWNPGQX-UHFFFAOYSA-N
XLogP2.04
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethylpentyl)-4-methyl-1,2,4-triazole?
The IUPAC name of 3-(3,4-dimethylpentyl)-4-methyl-1,2,4-triazole (CID 138656366) is 3-(3,4-dimethylpentyl)-4-methyl-1,2,4-triazole.
What is the SMILES notation for 3-(3,4-dimethylpentyl)-4-methyl-1,2,4-triazole?
The canonical SMILES for 3-(3,4-dimethylpentyl)-4-methyl-1,2,4-triazole is CC(C)C(C)CCc1nncn1C.
What is the InChIKey of 3-(3,4-dimethylpentyl)-4-methyl-1,2,4-triazole?
The InChIKey is IVFFGYMRWNPGQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3/c1-8(2)9(3)5-6-10-12-11-7-13(10)4/h7-9H,5-6H2,1-4H3.
What are the key properties of 3-(3,4-dimethylpentyl)-4-methyl-1,2,4-triazole?
3-(3,4-dimethylpentyl)-4-methyl-1,2,4-triazole has a molecular weight of 181.28 g/mol, XLogP of 2.04, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethylpentyl)-4-methyl-1,2,4-triazole is sourced from PubChem (CID 138656366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).