[1-[3-chloro-4-(1,2,4-triazol-1-yl)phenyl]cyclopentyl]methanamine

C14H17ClN4 — CID 117443432

IUPAC[1-[3-chloro-4-(1,2,4-triazol-1-yl)phenyl]cyclopentyl]methanamine
SMILESNCC1(c2ccc(-n3cncn3)c(Cl)c2)CCCC1
InChIInChI=1S/C14H17ClN4/c15-12-7-11(14(8-16)5-1-2-6-14)3-4-13(12)19-10-17-9-18-19/h3-4,7,9-10H,1-2,5-6,8,16H2
InChIKeyDYIGPQMPGBZLGR-UHFFFAOYSA-N
MW276.77 g/mol
LogP2.69
Rot. Bonds3

About [1-[3-chloro-4-(1,2,4-triazol-1-yl)phenyl]cyclopentyl]methanamine

[1-[3-chloro-4-(1,2,4-triazol-1-yl)phenyl]cyclopentyl]methanamine (PubChem CID 117443432) has the molecular formula C14H17ClN4 and a molecular weight of 276.77 g/mol. Its IUPAC name is [1-[3-chloro-4-(1,2,4-triazol-1-yl)phenyl]cyclopentyl]methanamine.

Molecular Properties

Compound Name[1-[3-chloro-4-(1,2,4-triazol-1-yl)phenyl]cyclopentyl]methanamine
PubChem CID117443432
Molecular FormulaC14H17ClN4
Molecular Weight276.77 g/mol
Exact Mass276.11
IUPAC Name[1-[3-chloro-4-(1,2,4-triazol-1-yl)phenyl]cyclopentyl]methanamine
SMILESNCC1(c2ccc(-n3cncn3)c(Cl)c2)CCCC1
InChIInChI=1S/C14H17ClN4/c15-12-7-11(14(8-16)5-1-2-6-14)3-4-13(12)19-10-17-9-18-19/h3-4,7,9-10H,1-2,5-6,8,16H2
InChIKeyDYIGPQMPGBZLGR-UHFFFAOYSA-N
XLogP2.69
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.77
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-[3-chloro-4-(1,2,4-triazol-1-yl)phenyl]cyclopropyl]acetic acid
CID 117445136
[1-[3-(1,2,4-triazol-1-yl)phenyl]cyclohexyl]methanamine
CID 117394631
[1-(3-chloro-4-pyrrolidin-1-ylphenyl)cyclobutyl]methanamine
CID 117416314
1-[2-chloro-4-(2-methylpyrrolidin-2-yl)phenyl]-1,2,4-triazole
CID 117411502
[1-(3-chloro-4-methylphenyl)cyclohexyl]methanamine
CID 83824553
[1-(3-chloro-4-fluorophenyl)cyclobutyl]methanamine
CID 117304698
5-[1-(aminomethyl)cyclopentyl]-2-chlorophenol
CID 84790699
[1-(3-chloro-4-methoxyphenyl)cyclohexyl]methanamine
CID 82499570
3-chloro-4-(1,2,4-triazol-1-yl)benzonitrile
CID 63086876
[1-(1,4-dimethyl-2,3-dihydroquinoxalin-6-yl)cyclopentyl]methanamine
CID 117403045
3-amino-2-[3-chloro-4-(1,2,4-triazol-1-yl)phenyl]propanoic acid
CID 117420645
[1-(3-chloro-4-ethoxyphenyl)cyclopentyl]methanamine
CID 82499574

Frequently Asked Questions

What is the IUPAC name of [1-[3-chloro-4-(1,2,4-triazol-1-yl)phenyl]cyclopentyl]methanamine?
The IUPAC name of [1-[3-chloro-4-(1,2,4-triazol-1-yl)phenyl]cyclopentyl]methanamine (CID 117443432) is [1-[3-chloro-4-(1,2,4-triazol-1-yl)phenyl]cyclopentyl]methanamine.
What is the SMILES notation for [1-[3-chloro-4-(1,2,4-triazol-1-yl)phenyl]cyclopentyl]methanamine?
The canonical SMILES for [1-[3-chloro-4-(1,2,4-triazol-1-yl)phenyl]cyclopentyl]methanamine is NCC1(c2ccc(-n3cncn3)c(Cl)c2)CCCC1.
What is the InChIKey of [1-[3-chloro-4-(1,2,4-triazol-1-yl)phenyl]cyclopentyl]methanamine?
The InChIKey is DYIGPQMPGBZLGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN4/c15-12-7-11(14(8-16)5-1-2-6-14)3-4-13(12)19-10-17-9-18-19/h3-4,7,9-10H,1-2,5-6,8,16H2.
What are the key properties of [1-[3-chloro-4-(1,2,4-triazol-1-yl)phenyl]cyclopentyl]methanamine?
[1-[3-chloro-4-(1,2,4-triazol-1-yl)phenyl]cyclopentyl]methanamine has a molecular weight of 276.77 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-chloro-4-(1,2,4-triazol-1-yl)phenyl]cyclopentyl]methanamine is sourced from PubChem (CID 117443432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).