1-(4-ethyl-1,2,4-triazol-3-yl)-2-methylbutan-1-amine

C9H18N4 — CID 24697520

IUPAC1-(4-ethyl-1,2,4-triazol-3-yl)-2-methylbutan-1-amine
SMILESCCC(C)C(N)c1nncn1CC
InChIInChI=1S/C9H18N4/c1-4-7(3)8(10)9-12-11-6-13(9)5-2/h6-8H,4-5,10H2,1-3H3
InChIKeyJUGUBRMYRZYTFQ-UHFFFAOYSA-N
MW182.27 g/mol
LogP1.34
Rot. Bonds4

About 1-(4-ethyl-1,2,4-triazol-3-yl)-2-methylbutan-1-amine

1-(4-ethyl-1,2,4-triazol-3-yl)-2-methylbutan-1-amine (PubChem CID 24697520) has the molecular formula C9H18N4 and a molecular weight of 182.27 g/mol. Its IUPAC name is 1-(4-ethyl-1,2,4-triazol-3-yl)-2-methylbutan-1-amine.

Molecular Properties

Compound Name1-(4-ethyl-1,2,4-triazol-3-yl)-2-methylbutan-1-amine
PubChem CID24697520
Molecular FormulaC9H18N4
Molecular Weight182.27 g/mol
Exact Mass182.15
IUPAC Name1-(4-ethyl-1,2,4-triazol-3-yl)-2-methylbutan-1-amine
SMILESCCC(C)C(N)c1nncn1CC
InChIInChI=1S/C9H18N4/c1-4-7(3)8(10)9-12-11-6-13(9)5-2/h6-8H,4-5,10H2,1-3H3
InChIKeyJUGUBRMYRZYTFQ-UHFFFAOYSA-N
XLogP1.34
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-ethyl-1,2,4-triazol-3-yl)-2-methylbutan-1-amine?
The IUPAC name of 1-(4-ethyl-1,2,4-triazol-3-yl)-2-methylbutan-1-amine (CID 24697520) is 1-(4-ethyl-1,2,4-triazol-3-yl)-2-methylbutan-1-amine.
What is the SMILES notation for 1-(4-ethyl-1,2,4-triazol-3-yl)-2-methylbutan-1-amine?
The canonical SMILES for 1-(4-ethyl-1,2,4-triazol-3-yl)-2-methylbutan-1-amine is CCC(C)C(N)c1nncn1CC.
What is the InChIKey of 1-(4-ethyl-1,2,4-triazol-3-yl)-2-methylbutan-1-amine?
The InChIKey is JUGUBRMYRZYTFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4/c1-4-7(3)8(10)9-12-11-6-13(9)5-2/h6-8H,4-5,10H2,1-3H3.
What are the key properties of 1-(4-ethyl-1,2,4-triazol-3-yl)-2-methylbutan-1-amine?
1-(4-ethyl-1,2,4-triazol-3-yl)-2-methylbutan-1-amine has a molecular weight of 182.27 g/mol, XLogP of 1.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethyl-1,2,4-triazol-3-yl)-2-methylbutan-1-amine is sourced from PubChem (CID 24697520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).