N-(4-chlorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-amine

C12H9ClN4 — CID 56697911

IUPACN-(4-chlorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-amine
SMILESClc1ccc(Nc2nnc3ccccn23)cc1
InChIInChI=1S/C12H9ClN4/c13-9-4-6-10(7-5-9)14-12-16-15-11-3-1-2-8-17(11)12/h1-8H,(H,14,16)
InChIKeyICFGJRGASWLMKS-UHFFFAOYSA-N
MW244.69 g/mol
LogP3.13
Rot. Bonds2

About N-(4-chlorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-amine

N-(4-chlorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-amine (PubChem CID 56697911) has the molecular formula C12H9ClN4 and a molecular weight of 244.69 g/mol. Its IUPAC name is N-(4-chlorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-amine.

Molecular Properties

Compound NameN-(4-chlorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-amine
PubChem CID56697911
Molecular FormulaC12H9ClN4
Molecular Weight244.69 g/mol
Exact Mass244.05
IUPAC NameN-(4-chlorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-amine
SMILESClc1ccc(Nc2nnc3ccccn23)cc1
InChIInChI=1S/C12H9ClN4/c13-9-4-6-10(7-5-9)14-12-16-15-11-3-1-2-8-17(11)12/h1-8H,(H,14,16)
InChIKeyICFGJRGASWLMKS-UHFFFAOYSA-N
XLogP3.13
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.69
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-2-fluoro-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)benzamide
CID 38961107
1-N,2-N-bis(4-chlorophenyl)benzene-1,2-diamine
CID 22968513
4-chloro-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)aniline
CID 24697491
3-anilino-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)benzamide
CID 167871287
1-(3-fluoro-4-methylphenyl)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)urea
CID 53204464
N-phenyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-amine
CID 1040548
4-chloro-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide
CID 17480770
N-(4-chlorophenyl)-2-ethenylimidazo[1,2-a]pyridine-3-carbothioamide
CID 126680961
4-benzyl-N-(4-chlorophenyl)-[1,2,4]triazolo[4,3-a]benzimidazol-1-amine
CID 2772773
N-(4-chlorophenyl)-4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-amine
CID 134123465
(E)-2-(4-chlorophenyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)ethenesulfonamide
CID 78797891
ethane;3-methyl-[1,2,4]triazolo[4,3-a]pyridine
CID 91210925

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-amine?
The IUPAC name of N-(4-chlorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-amine (CID 56697911) is N-(4-chlorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-amine.
What is the SMILES notation for N-(4-chlorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-amine?
The canonical SMILES for N-(4-chlorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-amine is Clc1ccc(Nc2nnc3ccccn23)cc1.
What is the InChIKey of N-(4-chlorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-amine?
The InChIKey is ICFGJRGASWLMKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClN4/c13-9-4-6-10(7-5-9)14-12-16-15-11-3-1-2-8-17(11)12/h1-8H,(H,14,16).
What are the key properties of N-(4-chlorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-amine?
N-(4-chlorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-amine has a molecular weight of 244.69 g/mol, XLogP of 3.13, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-amine is sourced from PubChem (CID 56697911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).