3,5-dimethyl-2-(1H-1,2,4-triazol-5-ylsulfanylmethyl)pyridin-4-amine

C10H13N5S — CID 103183329

IUPAC3,5-dimethyl-2-(1H-1,2,4-triazol-5-ylsulfanylmethyl)pyridin-4-amine
SMILESCc1cnc(CSc2ncn[nH]2)c(C)c1N
InChIInChI=1S/C10H13N5S/c1-6-3-12-8(7(2)9(6)11)4-16-10-13-5-14-15-10/h3,5H,4H2,1-2H3,(H2,11,12)(H,13,14,15)
InChIKeyHBWHSHZGFPBOAS-UHFFFAOYSA-N
MW235.32 g/mol
LogP1.69
Rot. Bonds3

About 3,5-dimethyl-2-(1H-1,2,4-triazol-5-ylsulfanylmethyl)pyridin-4-amine

3,5-dimethyl-2-(1H-1,2,4-triazol-5-ylsulfanylmethyl)pyridin-4-amine (PubChem CID 103183329) has the molecular formula C10H13N5S and a molecular weight of 235.32 g/mol. Its IUPAC name is 3,5-dimethyl-2-(1H-1,2,4-triazol-5-ylsulfanylmethyl)pyridin-4-amine.

Molecular Properties

Compound Name3,5-dimethyl-2-(1H-1,2,4-triazol-5-ylsulfanylmethyl)pyridin-4-amine
PubChem CID103183329
Molecular FormulaC10H13N5S
Molecular Weight235.32 g/mol
Exact Mass235.09
IUPAC Name3,5-dimethyl-2-(1H-1,2,4-triazol-5-ylsulfanylmethyl)pyridin-4-amine
SMILESCc1cnc(CSc2ncn[nH]2)c(C)c1N
InChIInChI=1S/C10H13N5S/c1-6-3-12-8(7(2)9(6)11)4-16-10-13-5-14-15-10/h3,5H,4H2,1-2H3,(H2,11,12)(H,13,14,15)
InChIKeyHBWHSHZGFPBOAS-UHFFFAOYSA-N
XLogP1.69
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.32
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-2-(1H-1,2,4-triazol-5-ylsulfanylmethyl)pyridin-4-amine?
The IUPAC name of 3,5-dimethyl-2-(1H-1,2,4-triazol-5-ylsulfanylmethyl)pyridin-4-amine (CID 103183329) is 3,5-dimethyl-2-(1H-1,2,4-triazol-5-ylsulfanylmethyl)pyridin-4-amine.
What is the SMILES notation for 3,5-dimethyl-2-(1H-1,2,4-triazol-5-ylsulfanylmethyl)pyridin-4-amine?
The canonical SMILES for 3,5-dimethyl-2-(1H-1,2,4-triazol-5-ylsulfanylmethyl)pyridin-4-amine is Cc1cnc(CSc2ncn[nH]2)c(C)c1N.
What is the InChIKey of 3,5-dimethyl-2-(1H-1,2,4-triazol-5-ylsulfanylmethyl)pyridin-4-amine?
The InChIKey is HBWHSHZGFPBOAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5S/c1-6-3-12-8(7(2)9(6)11)4-16-10-13-5-14-15-10/h3,5H,4H2,1-2H3,(H2,11,12)(H,13,14,15).
What are the key properties of 3,5-dimethyl-2-(1H-1,2,4-triazol-5-ylsulfanylmethyl)pyridin-4-amine?
3,5-dimethyl-2-(1H-1,2,4-triazol-5-ylsulfanylmethyl)pyridin-4-amine has a molecular weight of 235.32 g/mol, XLogP of 1.69, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-2-(1H-1,2,4-triazol-5-ylsulfanylmethyl)pyridin-4-amine is sourced from PubChem (CID 103183329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).