3-[(2-chlorophenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-amine

C13H15ClN4 — CID 117152949

IUPAC3-[(2-chlorophenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-amine
SMILESNC1CCCn2c(Cc3ccccc3Cl)nnc21
InChIInChI=1S/C13H15ClN4/c14-10-5-2-1-4-9(10)8-12-16-17-13-11(15)6-3-7-18(12)13/h1-2,4-5,11H,3,6-8,15H2
InChIKeySYFSXYRUOKMDNB-UHFFFAOYSA-N
MW262.74 g/mol
LogP2.32
Rot. Bonds2

About 3-[(2-chlorophenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-amine

3-[(2-chlorophenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-amine (PubChem CID 117152949) has the molecular formula C13H15ClN4 and a molecular weight of 262.74 g/mol. Its IUPAC name is 3-[(2-chlorophenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-amine.

Molecular Properties

Compound Name3-[(2-chlorophenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-amine
PubChem CID117152949
Molecular FormulaC13H15ClN4
Molecular Weight262.74 g/mol
Exact Mass262.10
IUPAC Name3-[(2-chlorophenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-amine
SMILESNC1CCCn2c(Cc3ccccc3Cl)nnc21
InChIInChI=1S/C13H15ClN4/c14-10-5-2-1-4-9(10)8-12-16-17-13-11(15)6-3-7-18(12)13/h1-2,4-5,11H,3,6-8,15H2
InChIKeySYFSXYRUOKMDNB-UHFFFAOYSA-N
XLogP2.32
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.74
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[(2-chlorophenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-amine with MolForge

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Related Compounds

3-[(2-chlorophenyl)methyl]-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 55091065
3-[(8-amino-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]phenol
CID 117152920
3-[(2-chlorophenyl)methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-8-ol
CID 117152943
3-[(2-fluorophenyl)methyl]-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
CID 117152945
3-[(2-chlorophenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-5-ol
CID 117150317
2-[(2-chlorophenyl)methyl]-1-methylpyrrolidine
CID 23452576
3-[(2-chlorophenyl)methyl]-6-cyclobutyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 56761241
3-(4-aminophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-amine
CID 117158739
(3S)-1-[(2-chlorophenyl)methyl]piperidine-3-carboxamide
CID 6962119
5-[(2-chlorophenyl)methyl]-4-methyl-1,2,4-triazole-3-carboxylic acid
CID 19904237
5-[(2-chlorophenyl)methyl]-4-methyl-1,2,4-triazole-3-carboxamide
CID 19904227
1-[(2-chlorophenyl)methyl]-N'-hydroxypiperidine-3-carboximidamide
CID 77041309

Frequently Asked Questions

What is the IUPAC name of 3-[(2-chlorophenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-amine?
The IUPAC name of 3-[(2-chlorophenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-amine (CID 117152949) is 3-[(2-chlorophenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-amine.
What is the SMILES notation for 3-[(2-chlorophenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-amine?
The canonical SMILES for 3-[(2-chlorophenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-amine is NC1CCCn2c(Cc3ccccc3Cl)nnc21.
What is the InChIKey of 3-[(2-chlorophenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-amine?
The InChIKey is SYFSXYRUOKMDNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN4/c14-10-5-2-1-4-9(10)8-12-16-17-13-11(15)6-3-7-18(12)13/h1-2,4-5,11H,3,6-8,15H2.
What are the key properties of 3-[(2-chlorophenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-amine?
3-[(2-chlorophenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-amine has a molecular weight of 262.74 g/mol, XLogP of 2.32, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chlorophenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-amine is sourced from PubChem (CID 117152949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).