1-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)-2-methylbutan-1-amine

C12H22N4 — CID 61338739

IUPAC1-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)-2-methylbutan-1-amine
SMILESCCC(C)C(N)c1n[nH]c(C2CCCC2)n1
InChIInChI=1S/C12H22N4/c1-3-8(2)10(13)12-14-11(15-16-12)9-6-4-5-7-9/h8-10H,3-7,13H2,1-2H3,(H,14,15,16)
InChIKeyMLOAIUHPUGOYLC-UHFFFAOYSA-N
MW222.34 g/mol
LogP2.51
Rot. Bonds4

About 1-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)-2-methylbutan-1-amine

1-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)-2-methylbutan-1-amine (PubChem CID 61338739) has the molecular formula C12H22N4 and a molecular weight of 222.34 g/mol. Its IUPAC name is 1-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)-2-methylbutan-1-amine.

Molecular Properties

Compound Name1-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)-2-methylbutan-1-amine
PubChem CID61338739
Molecular FormulaC12H22N4
Molecular Weight222.34 g/mol
Exact Mass222.18
IUPAC Name1-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)-2-methylbutan-1-amine
SMILESCCC(C)C(N)c1n[nH]c(C2CCCC2)n1
InChIInChI=1S/C12H22N4/c1-3-8(2)10(13)12-14-11(15-16-12)9-6-4-5-7-9/h8-10H,3-7,13H2,1-2H3,(H,14,15,16)
InChIKeyMLOAIUHPUGOYLC-UHFFFAOYSA-N
XLogP2.51
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.34
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)-2-methylbutan-1-amine?
The IUPAC name of 1-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)-2-methylbutan-1-amine (CID 61338739) is 1-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)-2-methylbutan-1-amine.
What is the SMILES notation for 1-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)-2-methylbutan-1-amine?
The canonical SMILES for 1-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)-2-methylbutan-1-amine is CCC(C)C(N)c1n[nH]c(C2CCCC2)n1.
What is the InChIKey of 1-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)-2-methylbutan-1-amine?
The InChIKey is MLOAIUHPUGOYLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4/c1-3-8(2)10(13)12-14-11(15-16-12)9-6-4-5-7-9/h8-10H,3-7,13H2,1-2H3,(H,14,15,16).
What are the key properties of 1-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)-2-methylbutan-1-amine?
1-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)-2-methylbutan-1-amine has a molecular weight of 222.34 g/mol, XLogP of 2.51, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)-2-methylbutan-1-amine is sourced from PubChem (CID 61338739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).