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

C10H18N4 — CID 62674842

IUPAC2-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)propan-1-amine
SMILESCC(CN)c1n[nH]c(C2CCCC2)n1
InChIInChI=1S/C10H18N4/c1-7(6-11)9-12-10(14-13-9)8-4-2-3-5-8/h7-8H,2-6,11H2,1H3,(H,12,13,14)
InChIKeyNZNNFWIZUIUPQV-UHFFFAOYSA-N
MW194.28 g/mol
LogP1.52
Rot. Bonds3

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

2-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)propan-1-amine (PubChem CID 62674842) has the molecular formula C10H18N4 and a molecular weight of 194.28 g/mol. Its IUPAC name is 2-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)propan-1-amine.

Molecular Properties

Compound Name2-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)propan-1-amine
PubChem CID62674842
Molecular FormulaC10H18N4
Molecular Weight194.28 g/mol
Exact Mass194.15
IUPAC Name2-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)propan-1-amine
SMILESCC(CN)c1n[nH]c(C2CCCC2)n1
InChIInChI=1S/C10H18N4/c1-7(6-11)9-12-10(14-13-9)8-4-2-3-5-8/h7-8H,2-6,11H2,1H3,(H,12,13,14)
InChIKeyNZNNFWIZUIUPQV-UHFFFAOYSA-N
XLogP1.52
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)propan-1-amine?
The IUPAC name of 2-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)propan-1-amine (CID 62674842) is 2-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)propan-1-amine.
What is the SMILES notation for 2-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)propan-1-amine?
The canonical SMILES for 2-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)propan-1-amine is CC(CN)c1n[nH]c(C2CCCC2)n1.
What is the InChIKey of 2-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)propan-1-amine?
The InChIKey is NZNNFWIZUIUPQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4/c1-7(6-11)9-12-10(14-13-9)8-4-2-3-5-8/h7-8H,2-6,11H2,1H3,(H,12,13,14).
What are the key properties of 2-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)propan-1-amine?
2-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)propan-1-amine has a molecular weight of 194.28 g/mol, XLogP of 1.52, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)propan-1-amine is sourced from PubChem (CID 62674842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).