4-[1-(4-cyclopentyl-1,2,4-triazol-3-yl)propan-2-yl]aniline

C16H22N4 — CID 104503372

IUPAC4-[1-(4-cyclopentyl-1,2,4-triazol-3-yl)propan-2-yl]aniline
SMILESCC(Cc1nncn1C1CCCC1)c1ccc(N)cc1
InChIInChI=1S/C16H22N4/c1-12(13-6-8-14(17)9-7-13)10-16-19-18-11-20(16)15-4-2-3-5-15/h6-9,11-12,15H,2-5,10,17H2,1H3
InChIKeyCOYWTTPFCMQKQZ-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.32
Rot. Bonds4

About 4-[1-(4-cyclopentyl-1,2,4-triazol-3-yl)propan-2-yl]aniline

4-[1-(4-cyclopentyl-1,2,4-triazol-3-yl)propan-2-yl]aniline (PubChem CID 104503372) has the molecular formula C16H22N4 and a molecular weight of 270.38 g/mol. Its IUPAC name is 4-[1-(4-cyclopentyl-1,2,4-triazol-3-yl)propan-2-yl]aniline.

Molecular Properties

Compound Name4-[1-(4-cyclopentyl-1,2,4-triazol-3-yl)propan-2-yl]aniline
PubChem CID104503372
Molecular FormulaC16H22N4
Molecular Weight270.38 g/mol
Exact Mass270.18
IUPAC Name4-[1-(4-cyclopentyl-1,2,4-triazol-3-yl)propan-2-yl]aniline
SMILESCC(Cc1nncn1C1CCCC1)c1ccc(N)cc1
InChIInChI=1S/C16H22N4/c1-12(13-6-8-14(17)9-7-13)10-16-19-18-11-20(16)15-4-2-3-5-15/h6-9,11-12,15H,2-5,10,17H2,1H3
InChIKeyCOYWTTPFCMQKQZ-UHFFFAOYSA-N
XLogP3.32
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-(4-cyclopentyl-1,2,4-triazol-3-yl)-2-methoxypropan-1-amine
CID 103160303
1-(4-cyclohexyl-1,2,4-triazol-3-yl)-2-methylpropan-2-amine
CID 64672693
2-(4-cyclobutyl-1,2,4-triazol-3-yl)ethanamine
CID 83873587
(2S)-2-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]-4-methylpentan-1-amine
CID 104916252
3-(4-cyclopentyl-1,2,4-triazol-3-yl)butan-1-amine
CID 80541547
4-[1-[3-(methoxymethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]propan-2-yl]aniline
CID 114355179
3-(4-cyclohexyl-1,2,4-triazol-3-yl)butan-1-amine
CID 80541548
N-[2-(4-cyclopropyl-1,2,4-triazol-3-yl)ethyl]propan-2-amine
CID 62696043
1-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]cyclopentan-1-amine
CID 64672496
2-(4-cyclohexyl-1,2,4-triazol-3-yl)-N-ethylpropan-1-amine
CID 55123160
3-[(2S)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]aniline
CID 139350886
2-[2-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]piperidine
CID 55107637

Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-cyclopentyl-1,2,4-triazol-3-yl)propan-2-yl]aniline?
The IUPAC name of 4-[1-(4-cyclopentyl-1,2,4-triazol-3-yl)propan-2-yl]aniline (CID 104503372) is 4-[1-(4-cyclopentyl-1,2,4-triazol-3-yl)propan-2-yl]aniline.
What is the SMILES notation for 4-[1-(4-cyclopentyl-1,2,4-triazol-3-yl)propan-2-yl]aniline?
The canonical SMILES for 4-[1-(4-cyclopentyl-1,2,4-triazol-3-yl)propan-2-yl]aniline is CC(Cc1nncn1C1CCCC1)c1ccc(N)cc1.
What is the InChIKey of 4-[1-(4-cyclopentyl-1,2,4-triazol-3-yl)propan-2-yl]aniline?
The InChIKey is COYWTTPFCMQKQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4/c1-12(13-6-8-14(17)9-7-13)10-16-19-18-11-20(16)15-4-2-3-5-15/h6-9,11-12,15H,2-5,10,17H2,1H3.
What are the key properties of 4-[1-(4-cyclopentyl-1,2,4-triazol-3-yl)propan-2-yl]aniline?
4-[1-(4-cyclopentyl-1,2,4-triazol-3-yl)propan-2-yl]aniline has a molecular weight of 270.38 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-cyclopentyl-1,2,4-triazol-3-yl)propan-2-yl]aniline is sourced from PubChem (CID 104503372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).