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

C11H20N4 — CID 80541547

IUPAC3-(4-cyclopentyl-1,2,4-triazol-3-yl)butan-1-amine
SMILESCC(CCN)c1nncn1C1CCCC1
InChIInChI=1S/C11H20N4/c1-9(6-7-12)11-14-13-8-15(11)10-4-2-3-5-10/h8-10H,2-7,12H2,1H3
InChIKeyTVFKMOLDLRDOFM-UHFFFAOYSA-N
MW208.31 g/mol
LogP1.85
Rot. Bonds4

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

3-(4-cyclopentyl-1,2,4-triazol-3-yl)butan-1-amine (PubChem CID 80541547) has the molecular formula C11H20N4 and a molecular weight of 208.31 g/mol. Its IUPAC name is 3-(4-cyclopentyl-1,2,4-triazol-3-yl)butan-1-amine.

Molecular Properties

Compound Name3-(4-cyclopentyl-1,2,4-triazol-3-yl)butan-1-amine
PubChem CID80541547
Molecular FormulaC11H20N4
Molecular Weight208.31 g/mol
Exact Mass208.17
IUPAC Name3-(4-cyclopentyl-1,2,4-triazol-3-yl)butan-1-amine
SMILESCC(CCN)c1nncn1C1CCCC1
InChIInChI=1S/C11H20N4/c1-9(6-7-12)11-14-13-8-15(11)10-4-2-3-5-10/h8-10H,2-7,12H2,1H3
InChIKeyTVFKMOLDLRDOFM-UHFFFAOYSA-N
XLogP1.85
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 ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(4-cyclohexyl-1,2,4-triazol-3-yl)butan-1-amine
CID 80541548
2-(4-cyclohexyl-1,2,4-triazol-3-yl)-N-ethylpropan-1-amine
CID 55123160
(1R)-1-(4-cyclopentyl-1,2,4-triazol-3-yl)-3-methylbutan-1-amine
CID 94554729
1-(4-cyclopentyl-1,2,4-triazol-3-yl)butan-1-amine
CID 62711601
2-(4-cyclohexyl-1,2,4-triazol-3-yl)butan-1-amine
CID 65226790
1-(4-cyclohexyl-1,2,4-triazol-3-yl)-3-methylbutan-1-amine
CID 24707659
(1R,2R)-1-amino-1-(4-cyclopentyl-1,2,4-triazol-3-yl)propan-2-ol
CID 94554715
(1R,2R)-1-amino-1-(4-cyclohexyl-1,2,4-triazol-3-yl)propan-2-ol
CID 94554751
1-(4-cyclopropyl-1,2,4-triazol-3-yl)ethanamine
CID 62696618
1-(4-cyclohexyl-1,2,4-triazol-3-yl)-3-methylsulfonylpropan-1-amine
CID 62710919
(1S)-1-(4-cyclopentyl-1,2,4-triazol-3-yl)-3-phenylpropan-1-amine
CID 104983689
2-(4-cyclobutyl-1,2,4-triazol-3-yl)ethanamine
CID 83873587

Frequently Asked Questions

What is the IUPAC name of 3-(4-cyclopentyl-1,2,4-triazol-3-yl)butan-1-amine?
The IUPAC name of 3-(4-cyclopentyl-1,2,4-triazol-3-yl)butan-1-amine (CID 80541547) is 3-(4-cyclopentyl-1,2,4-triazol-3-yl)butan-1-amine.
What is the SMILES notation for 3-(4-cyclopentyl-1,2,4-triazol-3-yl)butan-1-amine?
The canonical SMILES for 3-(4-cyclopentyl-1,2,4-triazol-3-yl)butan-1-amine is CC(CCN)c1nncn1C1CCCC1.
What is the InChIKey of 3-(4-cyclopentyl-1,2,4-triazol-3-yl)butan-1-amine?
The InChIKey is TVFKMOLDLRDOFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4/c1-9(6-7-12)11-14-13-8-15(11)10-4-2-3-5-10/h8-10H,2-7,12H2,1H3.
What are the key properties of 3-(4-cyclopentyl-1,2,4-triazol-3-yl)butan-1-amine?
3-(4-cyclopentyl-1,2,4-triazol-3-yl)butan-1-amine has a molecular weight of 208.31 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-cyclopentyl-1,2,4-triazol-3-yl)butan-1-amine is sourced from PubChem (CID 80541547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).