3-(4-chlorophenyl)-5-pyridin-4-yl-1,2,4-triazol-4-amine

C13H10ClN5 — CID 24886930

IUPAC3-(4-chlorophenyl)-5-pyridin-4-yl-1,2,4-triazol-4-amine
SMILESNn1c(-c2ccncc2)nnc1-c1ccc(Cl)cc1
InChIInChI=1S/C13H10ClN5/c14-11-3-1-9(2-4-11)12-17-18-13(19(12)15)10-5-7-16-8-6-10/h1-8H,15H2
InChIKeyZDUQRZGEXDZEBS-UHFFFAOYSA-N
MW271.71 g/mol
LogP2.37
Rot. Bonds2

About 3-(4-chlorophenyl)-5-pyridin-4-yl-1,2,4-triazol-4-amine

3-(4-chlorophenyl)-5-pyridin-4-yl-1,2,4-triazol-4-amine (PubChem CID 24886930) has the molecular formula C13H10ClN5 and a molecular weight of 271.71 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-5-pyridin-4-yl-1,2,4-triazol-4-amine.

Molecular Properties

Compound Name3-(4-chlorophenyl)-5-pyridin-4-yl-1,2,4-triazol-4-amine
PubChem CID24886930
Molecular FormulaC13H10ClN5
Molecular Weight271.71 g/mol
Exact Mass271.06
IUPAC Name3-(4-chlorophenyl)-5-pyridin-4-yl-1,2,4-triazol-4-amine
SMILESNn1c(-c2ccncc2)nnc1-c1ccc(Cl)cc1
InChIInChI=1S/C13H10ClN5/c14-11-3-1-9(2-4-11)12-17-18-13(19(12)15)10-5-7-16-8-6-10/h1-8H,15H2
InChIKeyZDUQRZGEXDZEBS-UHFFFAOYSA-N
XLogP2.37
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.71
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[3-[[4-amino-5-(4-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]propylsulfanyl]-5-(4-chlorophenyl)-1,2,4-triazol-4-amine
CID 139224322
4-[5-chloro-2-(4-chlorophenyl)-1,2,4-triazol-3-yl]pyridine
CID 30032776
4-[2-(4-chlorophenyl)-1,2,4-triazol-3-yl]pyridine
CID 3736424
2-[[4-amino-5-(4-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetonitrile
CID 7170309
3-(4-chlorophenyl)-N-[(4-fluorophenyl)methyl]-5-pyridin-4-yl-1,2,4-triazol-4-amine
CID 24887197
3,5-bis(4-imidazol-1-ylphenyl)-1,2,4-triazol-4-amine
CID 91579296
3,5-bis(3-chlorophenyl)-1,2,4-triazol-4-amine
CID 15499603
3,5-dipyridin-3-yl-1,2,4-triazol-4-amine
CID 2768013
5-(4-chlorophenyl)-4-methyl-1,2,4-triazol-3-amine
CID 35754866
2-[(4-amino-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 937718
2-[(4-amino-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetonitrile
CID 121238705
3-(4-chlorophenyl)-5-(2-methoxyethylsulfanyl)-1,2,4-triazol-4-amine
CID 27907937

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-5-pyridin-4-yl-1,2,4-triazol-4-amine?
The IUPAC name of 3-(4-chlorophenyl)-5-pyridin-4-yl-1,2,4-triazol-4-amine (CID 24886930) is 3-(4-chlorophenyl)-5-pyridin-4-yl-1,2,4-triazol-4-amine.
What is the SMILES notation for 3-(4-chlorophenyl)-5-pyridin-4-yl-1,2,4-triazol-4-amine?
The canonical SMILES for 3-(4-chlorophenyl)-5-pyridin-4-yl-1,2,4-triazol-4-amine is Nn1c(-c2ccncc2)nnc1-c1ccc(Cl)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-5-pyridin-4-yl-1,2,4-triazol-4-amine?
The InChIKey is ZDUQRZGEXDZEBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClN5/c14-11-3-1-9(2-4-11)12-17-18-13(19(12)15)10-5-7-16-8-6-10/h1-8H,15H2.
What are the key properties of 3-(4-chlorophenyl)-5-pyridin-4-yl-1,2,4-triazol-4-amine?
3-(4-chlorophenyl)-5-pyridin-4-yl-1,2,4-triazol-4-amine has a molecular weight of 271.71 g/mol, XLogP of 2.37, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-5-pyridin-4-yl-1,2,4-triazol-4-amine is sourced from PubChem (CID 24886930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).