2-[(3-chlorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-amine

C13H11ClN4 — CID 117132609

IUPAC2-[(3-chlorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-amine
SMILESNc1cccc2nc(Cc3cccc(Cl)c3)nn12
InChIInChI=1S/C13H11ClN4/c14-10-4-1-3-9(7-10)8-12-16-13-6-2-5-11(15)18(13)17-12/h1-7H,8,15H2
InChIKeyYDWRMACVCUGIAD-UHFFFAOYSA-N
MW258.71 g/mol
LogP2.56
Rot. Bonds2

About 2-[(3-chlorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-amine

2-[(3-chlorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-amine (PubChem CID 117132609) has the molecular formula C13H11ClN4 and a molecular weight of 258.71 g/mol. Its IUPAC name is 2-[(3-chlorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-amine.

Molecular Properties

Compound Name2-[(3-chlorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-amine
PubChem CID117132609
Molecular FormulaC13H11ClN4
Molecular Weight258.71 g/mol
Exact Mass258.07
IUPAC Name2-[(3-chlorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-amine
SMILESNc1cccc2nc(Cc3cccc(Cl)c3)nn12
InChIInChI=1S/C13H11ClN4/c14-10-4-1-3-9(7-10)8-12-16-13-6-2-5-11(15)18(13)17-12/h1-7H,8,15H2
InChIKeyYDWRMACVCUGIAD-UHFFFAOYSA-N
XLogP2.56
TPSA56.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.71
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-2-[(3-fluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 117130371
4-[(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methyl]aniline
CID 83966917
2-benzyl-7-chloro-[1,2,4]triazolo[1,5-a]pyridine
CID 117134952
5-bromo-2-[(3-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 117132592
5-chloro-2-[(4-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 117132829
2-(azepan-1-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-amine
CID 117257524
4-[(3-chlorophenyl)methyl]-6-(dichloromethyl)-1,3,5-triazin-2-amine
CID 54670841
6-chloro-2-[(3-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 117130343
2-[(3-chlorophenyl)methyl]imidazo[1,2-b]pyridazine-6,8-diamine
CID 71251715
7-chloro-6-[(3-chlorophenyl)methyl]-5-methylpyrazolo[1,5-a]pyrimidine
CID 82274547
[3-[(3-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methanol
CID 63757779
2-benzyl-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid
CID 82566913

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chlorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-amine?
The IUPAC name of 2-[(3-chlorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-amine (CID 117132609) is 2-[(3-chlorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-amine.
What is the SMILES notation for 2-[(3-chlorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-amine?
The canonical SMILES for 2-[(3-chlorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-amine is Nc1cccc2nc(Cc3cccc(Cl)c3)nn12.
What is the InChIKey of 2-[(3-chlorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-amine?
The InChIKey is YDWRMACVCUGIAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN4/c14-10-4-1-3-9(7-10)8-12-16-13-6-2-5-11(15)18(13)17-12/h1-7H,8,15H2.
What are the key properties of 2-[(3-chlorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-amine?
2-[(3-chlorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-amine has a molecular weight of 258.71 g/mol, XLogP of 2.56, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chlorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-amine is sourced from PubChem (CID 117132609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).