2-chloro-N-[(2-methylsulfonylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-8-amine

C14H13ClN4O2S — CID 67479011

IUPAC2-chloro-N-[(2-methylsulfonylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-8-amine
SMILESCS(=O)(=O)c1ccccc1CNc1cccn2nc(Cl)nc12
InChIInChI=1S/C14H13ClN4O2S/c1-22(20,21)12-7-3-2-5-10(12)9-16-11-6-4-8-19-13(11)17-14(15)18-19/h2-8,16H,9H2,1H3
InChIKeyVXXOZEFHMHVYLJ-UHFFFAOYSA-N
MW336.80 g/mol
LogP2.40
Rot. Bonds4

About 2-chloro-N-[(2-methylsulfonylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-8-amine

2-chloro-N-[(2-methylsulfonylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-8-amine (PubChem CID 67479011) has the molecular formula C14H13ClN4O2S and a molecular weight of 336.80 g/mol. Its IUPAC name is 2-chloro-N-[(2-methylsulfonylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-8-amine.

Molecular Properties

Compound Name2-chloro-N-[(2-methylsulfonylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-8-amine
PubChem CID67479011
Molecular FormulaC14H13ClN4O2S
Molecular Weight336.80 g/mol
Exact Mass336.04
IUPAC Name2-chloro-N-[(2-methylsulfonylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-8-amine
SMILESCS(=O)(=O)c1ccccc1CNc1cccn2nc(Cl)nc12
InChIInChI=1S/C14H13ClN4O2S/c1-22(20,21)12-7-3-2-5-10(12)9-16-11-6-4-8-19-13(11)17-14(15)18-19/h2-8,16H,9H2,1H3
InChIKeyVXXOZEFHMHVYLJ-UHFFFAOYSA-N
XLogP2.40
TPSA76.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.80
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-chloro-N-(3-methyl-2-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-8-amine
CID 67479154
2-N,8-N-bis(2-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridine-2,8-diamine
CID 67479025
2-chloro-N-[(2-methylsulfonylphenyl)methyl]quinazolin-4-amine
CID 146254293
8-(2-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 67481522
2-chloro-6-[(2-methylsulfonylanilino)methyl]phenol
CID 115951350
2-methylsulfonyl-N-[(2-pyrazol-1-ylphenyl)methyl]aniline
CID 133270594
N-[(2-chloro-6-methylsulfonylphenyl)methyl]-2-ethylaniline
CID 83169174
2-chloro-8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridine;8-(4-methylsulfonylphenyl)-N-(2-pyridin-2-ylethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 162098648
N-[2-[2-(2-chloro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)ethenyl]phenyl]-N-methylmethanesulfonamide
CID 67479223
4,6-dichloro-N-(2-methylsulfonylphenyl)-1,3,5-triazin-2-amine
CID 59284574
2-methylsulfonyl-N-[(2,4,5-trimethylphenyl)methyl]aniline
CID 43786959
N-[(3-chloro-2-methylphenyl)methyl]-2-methylimidazo[1,2-a]pyridin-8-amine
CID 139920094

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(2-methylsulfonylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-8-amine?
The IUPAC name of 2-chloro-N-[(2-methylsulfonylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-8-amine (CID 67479011) is 2-chloro-N-[(2-methylsulfonylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-8-amine.
What is the SMILES notation for 2-chloro-N-[(2-methylsulfonylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-8-amine?
The canonical SMILES for 2-chloro-N-[(2-methylsulfonylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-8-amine is CS(=O)(=O)c1ccccc1CNc1cccn2nc(Cl)nc12.
What is the InChIKey of 2-chloro-N-[(2-methylsulfonylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-8-amine?
The InChIKey is VXXOZEFHMHVYLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN4O2S/c1-22(20,21)12-7-3-2-5-10(12)9-16-11-6-4-8-19-13(11)17-14(15)18-19/h2-8,16H,9H2,1H3.
What are the key properties of 2-chloro-N-[(2-methylsulfonylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-8-amine?
2-chloro-N-[(2-methylsulfonylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-8-amine has a molecular weight of 336.80 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(2-methylsulfonylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-8-amine is sourced from PubChem (CID 67479011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).