3-ethyl-5-methyl-4-(2-methylbutyl)-1,2,4-triazole

C10H19N3 — CID 177136211

IUPAC3-ethyl-5-methyl-4-(2-methylbutyl)-1,2,4-triazole
SMILESCCc1nnc(C)n1CC(C)CC
InChIInChI=1S/C10H19N3/c1-5-8(3)7-13-9(4)11-12-10(13)6-2/h8H,5-7H2,1-4H3
InChIKeySXWRYXNKXQXGJE-UHFFFAOYSA-N
MW181.28 g/mol
LogP2.20
Rot. Bonds4

About 3-ethyl-5-methyl-4-(2-methylbutyl)-1,2,4-triazole

3-ethyl-5-methyl-4-(2-methylbutyl)-1,2,4-triazole (PubChem CID 177136211) has the molecular formula C10H19N3 and a molecular weight of 181.28 g/mol. Its IUPAC name is 3-ethyl-5-methyl-4-(2-methylbutyl)-1,2,4-triazole.

Molecular Properties

Compound Name3-ethyl-5-methyl-4-(2-methylbutyl)-1,2,4-triazole
PubChem CID177136211
Molecular FormulaC10H19N3
Molecular Weight181.28 g/mol
Exact Mass181.16
IUPAC Name3-ethyl-5-methyl-4-(2-methylbutyl)-1,2,4-triazole
SMILESCCc1nnc(C)n1CC(C)CC
InChIInChI=1S/C10H19N3/c1-5-8(3)7-13-9(4)11-12-10(13)6-2/h8H,5-7H2,1-4H3
InChIKeySXWRYXNKXQXGJE-UHFFFAOYSA-N
XLogP2.20
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 ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-methyl-4-(2-methylbutyl)-1,2,4-triazole?
The IUPAC name of 3-ethyl-5-methyl-4-(2-methylbutyl)-1,2,4-triazole (CID 177136211) is 3-ethyl-5-methyl-4-(2-methylbutyl)-1,2,4-triazole.
What is the SMILES notation for 3-ethyl-5-methyl-4-(2-methylbutyl)-1,2,4-triazole?
The canonical SMILES for 3-ethyl-5-methyl-4-(2-methylbutyl)-1,2,4-triazole is CCc1nnc(C)n1CC(C)CC.
What is the InChIKey of 3-ethyl-5-methyl-4-(2-methylbutyl)-1,2,4-triazole?
The InChIKey is SXWRYXNKXQXGJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3/c1-5-8(3)7-13-9(4)11-12-10(13)6-2/h8H,5-7H2,1-4H3.
What are the key properties of 3-ethyl-5-methyl-4-(2-methylbutyl)-1,2,4-triazole?
3-ethyl-5-methyl-4-(2-methylbutyl)-1,2,4-triazole has a molecular weight of 181.28 g/mol, XLogP of 2.20, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-methyl-4-(2-methylbutyl)-1,2,4-triazole is sourced from PubChem (CID 177136211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).