6-(2,5-dimethylpyrazol-3-yl)sulfanylpyridin-3-amine

C10H12N4S — CID 62409540

IUPAC6-(2,5-dimethylpyrazol-3-yl)sulfanylpyridin-3-amine
SMILESCc1cc(Sc2ccc(N)cn2)n(C)n1
InChIInChI=1S/C10H12N4S/c1-7-5-10(14(2)13-7)15-9-4-3-8(11)6-12-9/h3-6H,11H2,1-2H3
InChIKeyQCJMBUVPTVUTHF-UHFFFAOYSA-N
MW220.30 g/mol
LogP1.86
Rot. Bonds2

About 6-(2,5-dimethylpyrazol-3-yl)sulfanylpyridin-3-amine

6-(2,5-dimethylpyrazol-3-yl)sulfanylpyridin-3-amine (PubChem CID 62409540) has the molecular formula C10H12N4S and a molecular weight of 220.30 g/mol. Its IUPAC name is 6-(2,5-dimethylpyrazol-3-yl)sulfanylpyridin-3-amine.

Molecular Properties

Compound Name6-(2,5-dimethylpyrazol-3-yl)sulfanylpyridin-3-amine
PubChem CID62409540
Molecular FormulaC10H12N4S
Molecular Weight220.30 g/mol
Exact Mass220.08
IUPAC Name6-(2,5-dimethylpyrazol-3-yl)sulfanylpyridin-3-amine
SMILESCc1cc(Sc2ccc(N)cn2)n(C)n1
InChIInChI=1S/C10H12N4S/c1-7-5-10(14(2)13-7)15-9-4-3-8(11)6-12-9/h3-6H,11H2,1-2H3
InChIKeyQCJMBUVPTVUTHF-UHFFFAOYSA-N
XLogP1.86
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.30
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(2,5-dimethylpyrazol-3-yl)sulfanylpyridin-3-amine?
The IUPAC name of 6-(2,5-dimethylpyrazol-3-yl)sulfanylpyridin-3-amine (CID 62409540) is 6-(2,5-dimethylpyrazol-3-yl)sulfanylpyridin-3-amine.
What is the SMILES notation for 6-(2,5-dimethylpyrazol-3-yl)sulfanylpyridin-3-amine?
The canonical SMILES for 6-(2,5-dimethylpyrazol-3-yl)sulfanylpyridin-3-amine is Cc1cc(Sc2ccc(N)cn2)n(C)n1.
What is the InChIKey of 6-(2,5-dimethylpyrazol-3-yl)sulfanylpyridin-3-amine?
The InChIKey is QCJMBUVPTVUTHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4S/c1-7-5-10(14(2)13-7)15-9-4-3-8(11)6-12-9/h3-6H,11H2,1-2H3.
What are the key properties of 6-(2,5-dimethylpyrazol-3-yl)sulfanylpyridin-3-amine?
6-(2,5-dimethylpyrazol-3-yl)sulfanylpyridin-3-amine has a molecular weight of 220.30 g/mol, XLogP of 1.86, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,5-dimethylpyrazol-3-yl)sulfanylpyridin-3-amine is sourced from PubChem (CID 62409540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).