N-[3-(pyridin-2-ylmethylsulfanyl)-1H-1,2,4-triazol-5-yl]pyridin-3-amine

C13H12N6S — CID 16756162

IUPACN-[3-(pyridin-2-ylmethylsulfanyl)-1H-1,2,4-triazol-5-yl]pyridin-3-amine
SMILESc1ccc(CSc2n[nH]c(Nc3cccnc3)n2)nc1
InChIInChI=1S/C13H12N6S/c1-2-7-15-11(4-1)9-20-13-17-12(18-19-13)16-10-5-3-6-14-8-10/h1-8H,9H2,(H2,16,17,18,19)
InChIKeyLJYQBCYDGPEXAJ-UHFFFAOYSA-N
MW284.35 g/mol
LogP2.63
Rot. Bonds5

About N-[3-(pyridin-2-ylmethylsulfanyl)-1H-1,2,4-triazol-5-yl]pyridin-3-amine

N-[3-(pyridin-2-ylmethylsulfanyl)-1H-1,2,4-triazol-5-yl]pyridin-3-amine (PubChem CID 16756162) has the molecular formula C13H12N6S and a molecular weight of 284.35 g/mol. Its IUPAC name is N-[3-(pyridin-2-ylmethylsulfanyl)-1H-1,2,4-triazol-5-yl]pyridin-3-amine.

Molecular Properties

Compound NameN-[3-(pyridin-2-ylmethylsulfanyl)-1H-1,2,4-triazol-5-yl]pyridin-3-amine
PubChem CID16756162
Molecular FormulaC13H12N6S
Molecular Weight284.35 g/mol
Exact Mass284.08
IUPAC NameN-[3-(pyridin-2-ylmethylsulfanyl)-1H-1,2,4-triazol-5-yl]pyridin-3-amine
SMILESc1ccc(CSc2n[nH]c(Nc3cccnc3)n2)nc1
InChIInChI=1S/C13H12N6S/c1-2-7-15-11(4-1)9-20-13-17-12(18-19-13)16-10-5-3-6-14-8-10/h1-8H,9H2,(H2,16,17,18,19)
InChIKeyLJYQBCYDGPEXAJ-UHFFFAOYSA-N
XLogP2.63
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.35
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[3-(pyridin-2-ylmethylsulfanyl)-1H-1,2,4-triazol-5-yl]pyridin-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[5-(benzylsulfanyl)-4H-1,2,4-triazol-3-yl]pyridin-3-amine
CID 9795779
N-(5-{[(3,4-difluorophenyl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl)pyridin-3-amine
CID 10171940
N-(5-{[(2-fluorophenyl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl)pyridin-3-amine
CID 10286315
2-(3-(2-Pyridinyl)-1H-1,2,4-triazol-5-yl)pyridine
CID 314836
N-(4-methylphenyl)-5-[(pyridin-4-ylmethyl)sulfanyl]-4H-1,2,4-triazol-3-amine
CID 9796249
N-(4-methylphenyl)-5-[(pyridin-2-ylmethyl)sulfanyl]-4H-1,2,4-triazol-3-amine
CID 9817701
N-(4-chlorophenyl)-5-[(pyridin-2-ylmethyl)sulfanyl]-4H-1,2,4-triazol-3-amine
CID 9818421
N-(5-{[(2-methylphenyl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl)pyridin-3-amine
CID 10171739
N-(5-{[(2-methyl-1,3-thiazol-4-yl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl)pyridin-3-amine
CID 10308455
N-{5-[(pyridin-4-ylmethyl)sulfanyl]-4H-1,2,4-triazol-3-yl}pyridin-3-amine
CID 16756163
N-{5-[(cyclohexylmethyl)sulfanyl]-4H-1,2,4-triazol-3-yl}pyridin-3-amine
CID 16756164
N-(2-methylphenyl)-5-[(pyridin-4-ylmethyl)sulfanyl]-4H-1,2,4-triazol-3-amine
CID 16757241

Frequently Asked Questions

What is the IUPAC name of N-[3-(pyridin-2-ylmethylsulfanyl)-1H-1,2,4-triazol-5-yl]pyridin-3-amine?
The IUPAC name of N-[3-(pyridin-2-ylmethylsulfanyl)-1H-1,2,4-triazol-5-yl]pyridin-3-amine (CID 16756162) is N-[3-(pyridin-2-ylmethylsulfanyl)-1H-1,2,4-triazol-5-yl]pyridin-3-amine.
What is the SMILES notation for N-[3-(pyridin-2-ylmethylsulfanyl)-1H-1,2,4-triazol-5-yl]pyridin-3-amine?
The canonical SMILES for N-[3-(pyridin-2-ylmethylsulfanyl)-1H-1,2,4-triazol-5-yl]pyridin-3-amine is c1ccc(CSc2n[nH]c(Nc3cccnc3)n2)nc1.
What is the InChIKey of N-[3-(pyridin-2-ylmethylsulfanyl)-1H-1,2,4-triazol-5-yl]pyridin-3-amine?
The InChIKey is LJYQBCYDGPEXAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N6S/c1-2-7-15-11(4-1)9-20-13-17-12(18-19-13)16-10-5-3-6-14-8-10/h1-8H,9H2,(H2,16,17,18,19).
What are the key properties of N-[3-(pyridin-2-ylmethylsulfanyl)-1H-1,2,4-triazol-5-yl]pyridin-3-amine?
N-[3-(pyridin-2-ylmethylsulfanyl)-1H-1,2,4-triazol-5-yl]pyridin-3-amine has a molecular weight of 284.35 g/mol, XLogP of 2.63, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(pyridin-2-ylmethylsulfanyl)-1H-1,2,4-triazol-5-yl]pyridin-3-amine is sourced from PubChem (CID 16756162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).