1-(4-cyclopentyl-1,2,4-triazol-3-yl)butan-1-amine

C11H20N4 — CID 62711601

IUPAC1-(4-cyclopentyl-1,2,4-triazol-3-yl)butan-1-amine
SMILESCCCC(N)c1nncn1C1CCCC1
InChIInChI=1S/C11H20N4/c1-2-5-10(12)11-14-13-8-15(11)9-6-3-4-7-9/h8-10H,2-7,12H2,1H3
InChIKeyRMYQAJPRMFDTGX-UHFFFAOYSA-N
MW208.31 g/mol
LogP2.19
Rot. Bonds4

About 1-(4-cyclopentyl-1,2,4-triazol-3-yl)butan-1-amine

1-(4-cyclopentyl-1,2,4-triazol-3-yl)butan-1-amine (PubChem CID 62711601) has the molecular formula C11H20N4 and a molecular weight of 208.31 g/mol. Its IUPAC name is 1-(4-cyclopentyl-1,2,4-triazol-3-yl)butan-1-amine.

Molecular Properties

Compound Name1-(4-cyclopentyl-1,2,4-triazol-3-yl)butan-1-amine
PubChem CID62711601
Molecular FormulaC11H20N4
Molecular Weight208.31 g/mol
Exact Mass208.17
IUPAC Name1-(4-cyclopentyl-1,2,4-triazol-3-yl)butan-1-amine
SMILESCCCC(N)c1nncn1C1CCCC1
InChIInChI=1S/C11H20N4/c1-2-5-10(12)11-14-13-8-15(11)9-6-3-4-7-9/h8-10H,2-7,12H2,1H3
InChIKeyRMYQAJPRMFDTGX-UHFFFAOYSA-N
XLogP2.19
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclopentyl-1,2,4-triazol-3-yl)butan-1-amine?
The IUPAC name of 1-(4-cyclopentyl-1,2,4-triazol-3-yl)butan-1-amine (CID 62711601) is 1-(4-cyclopentyl-1,2,4-triazol-3-yl)butan-1-amine.
What is the SMILES notation for 1-(4-cyclopentyl-1,2,4-triazol-3-yl)butan-1-amine?
The canonical SMILES for 1-(4-cyclopentyl-1,2,4-triazol-3-yl)butan-1-amine is CCCC(N)c1nncn1C1CCCC1.
What is the InChIKey of 1-(4-cyclopentyl-1,2,4-triazol-3-yl)butan-1-amine?
The InChIKey is RMYQAJPRMFDTGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4/c1-2-5-10(12)11-14-13-8-15(11)9-6-3-4-7-9/h8-10H,2-7,12H2,1H3.
What are the key properties of 1-(4-cyclopentyl-1,2,4-triazol-3-yl)butan-1-amine?
1-(4-cyclopentyl-1,2,4-triazol-3-yl)butan-1-amine has a molecular weight of 208.31 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclopentyl-1,2,4-triazol-3-yl)butan-1-amine is sourced from PubChem (CID 62711601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).