N-[1-(4-chlorophenyl)pentyl]-1,2,4-triazol-1-amine

C13H17ClN4 — CID 117064182

IUPACN-[1-(4-chlorophenyl)pentyl]-1,2,4-triazol-1-amine
SMILESCCCCC(Nn1cncn1)c1ccc(Cl)cc1
InChIInChI=1S/C13H17ClN4/c1-2-3-4-13(17-18-10-15-9-16-18)11-5-7-12(14)8-6-11/h5-10,13,17H,2-4H2,1H3
InChIKeyXYUJZNBYDTWXQU-UHFFFAOYSA-N
MW264.76 g/mol
LogP3.41
Rot. Bonds6

About N-[1-(4-chlorophenyl)pentyl]-1,2,4-triazol-1-amine

N-[1-(4-chlorophenyl)pentyl]-1,2,4-triazol-1-amine (PubChem CID 117064182) has the molecular formula C13H17ClN4 and a molecular weight of 264.76 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)pentyl]-1,2,4-triazol-1-amine.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)pentyl]-1,2,4-triazol-1-amine
PubChem CID117064182
Molecular FormulaC13H17ClN4
Molecular Weight264.76 g/mol
Exact Mass264.11
IUPAC NameN-[1-(4-chlorophenyl)pentyl]-1,2,4-triazol-1-amine
SMILESCCCCC(Nn1cncn1)c1ccc(Cl)cc1
InChIInChI=1S/C13H17ClN4/c1-2-3-4-13(17-18-10-15-9-16-18)11-5-7-12(14)8-6-11/h5-10,13,17H,2-4H2,1H3
InChIKeyXYUJZNBYDTWXQU-UHFFFAOYSA-N
XLogP3.41
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.76
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-chlorophenyl)-N-methylpentan-1-amine
CID 11708302
1-(4-chlorophenyl)-N-ethylhexan-1-amine
CID 43488947
N-[1-(4-chlorophenyl)pentyl]acetamide
CID 23652178
1-(4-chlorophenyl)-N-propyloctan-1-amine
CID 43494757
N-[1-(4-chlorophenyl)propyl]-4-(1,2,4-triazol-1-yl)benzamide
CID 16602955
1-[(3R)-3-(4-chlorophenyl)pentyl]-1,2,4-triazole
CID 25170664
N-[1-(4-chlorophenyl)butyl]pyrimidin-5-amine
CID 107587805
1-(4-chlorophenyl)-3-ethyl-N-methylheptan-1-amine
CID 55186033
1-[1-(4-chlorophenyl)butylamino]pentan-2-ol
CID 113261482
2-(4-chlorophenyl)-3-propyl-2-(1,2,4-triazol-1-ylmethyl)heptanenitrile
CID 139651598
1-[(4-chlorophenyl)-(1,2,4-triazol-1-yl)methyl]-1,2,4-triazole
CID 4210279
N-[1-(4-chlorophenyl)-2-hydroxyethyl]-4-(1,2,4-triazol-1-yl)benzamide
CID 110004658

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)pentyl]-1,2,4-triazol-1-amine?
The IUPAC name of N-[1-(4-chlorophenyl)pentyl]-1,2,4-triazol-1-amine (CID 117064182) is N-[1-(4-chlorophenyl)pentyl]-1,2,4-triazol-1-amine.
What is the SMILES notation for N-[1-(4-chlorophenyl)pentyl]-1,2,4-triazol-1-amine?
The canonical SMILES for N-[1-(4-chlorophenyl)pentyl]-1,2,4-triazol-1-amine is CCCCC(Nn1cncn1)c1ccc(Cl)cc1.
What is the InChIKey of N-[1-(4-chlorophenyl)pentyl]-1,2,4-triazol-1-amine?
The InChIKey is XYUJZNBYDTWXQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN4/c1-2-3-4-13(17-18-10-15-9-16-18)11-5-7-12(14)8-6-11/h5-10,13,17H,2-4H2,1H3.
What are the key properties of N-[1-(4-chlorophenyl)pentyl]-1,2,4-triazol-1-amine?
N-[1-(4-chlorophenyl)pentyl]-1,2,4-triazol-1-amine has a molecular weight of 264.76 g/mol, XLogP of 3.41, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)pentyl]-1,2,4-triazol-1-amine is sourced from PubChem (CID 117064182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).