1-[3-(1,2,4-triazol-1-yl)phenyl]cyclopentan-1-amine

C13H16N4 — CID 117329120

IUPAC1-[3-(1,2,4-triazol-1-yl)phenyl]cyclopentan-1-amine
SMILESNC1(c2cccc(-n3cncn3)c2)CCCC1
InChIInChI=1S/C13H16N4/c14-13(6-1-2-7-13)11-4-3-5-12(8-11)17-10-15-9-16-17/h3-5,8-10H,1-2,6-7,14H2
InChIKeyZDBAAJLXOFLTBO-UHFFFAOYSA-N
MW228.30 g/mol
LogP2.00
Rot. Bonds2

About 1-[3-(1,2,4-triazol-1-yl)phenyl]cyclopentan-1-amine

1-[3-(1,2,4-triazol-1-yl)phenyl]cyclopentan-1-amine (PubChem CID 117329120) has the molecular formula C13H16N4 and a molecular weight of 228.30 g/mol. Its IUPAC name is 1-[3-(1,2,4-triazol-1-yl)phenyl]cyclopentan-1-amine.

Molecular Properties

Compound Name1-[3-(1,2,4-triazol-1-yl)phenyl]cyclopentan-1-amine
PubChem CID117329120
Molecular FormulaC13H16N4
Molecular Weight228.30 g/mol
Exact Mass228.14
IUPAC Name1-[3-(1,2,4-triazol-1-yl)phenyl]cyclopentan-1-amine
SMILESNC1(c2cccc(-n3cncn3)c2)CCCC1
InChIInChI=1S/C13H16N4/c14-13(6-1-2-7-13)11-4-3-5-12(8-11)17-10-15-9-16-17/h3-5,8-10H,1-2,6-7,14H2
InChIKeyZDBAAJLXOFLTBO-UHFFFAOYSA-N
XLogP2.00
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-[3-(1,2,4-triazol-1-yl)phenyl]cyclohexyl]methanamine
CID 117394631
1-[3-((1,2-15N2)1,2,4-triazol-1-yl)phenyl]-(1,2-15N2)1,2,4-triazole
CID 71751577
3-(1,2,4-triazol-1-yl)benzenethiol
CID 23324544
3-(1,2,4-triazol-1-yl)phenol
CID 54592961
silver 3-(1,2,4-triazol-1-yl)benzenethiol
CID 23324543
1-amino-N-[[3-(1,2,4-triazol-1-yl)phenyl]methyl]cyclopropane-1-carboxamide
CID 119781695
2-[3-(1,2,4-triazol-1-yl)phenyl]propan-2-amine
CID 117291048
3-(1-aminocyclopentyl)aniline
CID 117047301
1-[3-(1-aminocyclopentyl)oxyphenyl]cyclohexan-1-amine
CID 174342591
4-[3-(1-aminocyclopentyl)phenyl]-1-methylpiperazine-2,6-dione
CID 117463789
1-(3-methylphenyl)cyclopentan-1-amine
CID 43345653
1-(3-methylsulfanylphenyl)cyclopentan-1-amine
CID 82611331

Frequently Asked Questions

What is the IUPAC name of 1-[3-(1,2,4-triazol-1-yl)phenyl]cyclopentan-1-amine?
The IUPAC name of 1-[3-(1,2,4-triazol-1-yl)phenyl]cyclopentan-1-amine (CID 117329120) is 1-[3-(1,2,4-triazol-1-yl)phenyl]cyclopentan-1-amine.
What is the SMILES notation for 1-[3-(1,2,4-triazol-1-yl)phenyl]cyclopentan-1-amine?
The canonical SMILES for 1-[3-(1,2,4-triazol-1-yl)phenyl]cyclopentan-1-amine is NC1(c2cccc(-n3cncn3)c2)CCCC1.
What is the InChIKey of 1-[3-(1,2,4-triazol-1-yl)phenyl]cyclopentan-1-amine?
The InChIKey is ZDBAAJLXOFLTBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4/c14-13(6-1-2-7-13)11-4-3-5-12(8-11)17-10-15-9-16-17/h3-5,8-10H,1-2,6-7,14H2.
What are the key properties of 1-[3-(1,2,4-triazol-1-yl)phenyl]cyclopentan-1-amine?
1-[3-(1,2,4-triazol-1-yl)phenyl]cyclopentan-1-amine has a molecular weight of 228.30 g/mol, XLogP of 2.00, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1,2,4-triazol-1-yl)phenyl]cyclopentan-1-amine is sourced from PubChem (CID 117329120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).