6-methoxy-2-(1-methylpyrazol-4-yl)sulfanylpyridin-3-amine

C10H12N4OS — CID 115321381

IUPAC6-methoxy-2-(1-methylpyrazol-4-yl)sulfanylpyridin-3-amine
SMILESCOc1ccc(N)c(Sc2cnn(C)c2)n1
InChIInChI=1S/C10H12N4OS/c1-14-6-7(5-12-14)16-10-8(11)3-4-9(13-10)15-2/h3-6H,11H2,1-2H3
InChIKeyRDMOVUNGIFZEMS-UHFFFAOYSA-N
MW236.30 g/mol
LogP1.56
Rot. Bonds3

About 6-methoxy-2-(1-methylpyrazol-4-yl)sulfanylpyridin-3-amine

6-methoxy-2-(1-methylpyrazol-4-yl)sulfanylpyridin-3-amine (PubChem CID 115321381) has the molecular formula C10H12N4OS and a molecular weight of 236.30 g/mol. Its IUPAC name is 6-methoxy-2-(1-methylpyrazol-4-yl)sulfanylpyridin-3-amine.

Molecular Properties

Compound Name6-methoxy-2-(1-methylpyrazol-4-yl)sulfanylpyridin-3-amine
PubChem CID115321381
Molecular FormulaC10H12N4OS
Molecular Weight236.30 g/mol
Exact Mass236.07
IUPAC Name6-methoxy-2-(1-methylpyrazol-4-yl)sulfanylpyridin-3-amine
SMILESCOc1ccc(N)c(Sc2cnn(C)c2)n1
InChIInChI=1S/C10H12N4OS/c1-14-6-7(5-12-14)16-10-8(11)3-4-9(13-10)15-2/h3-6H,11H2,1-2H3
InChIKeyRDMOVUNGIFZEMS-UHFFFAOYSA-N
XLogP1.56
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.30
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-(1-methylpyrazol-4-yl)sulfanylpyridin-3-amine?
The IUPAC name of 6-methoxy-2-(1-methylpyrazol-4-yl)sulfanylpyridin-3-amine (CID 115321381) is 6-methoxy-2-(1-methylpyrazol-4-yl)sulfanylpyridin-3-amine.
What is the SMILES notation for 6-methoxy-2-(1-methylpyrazol-4-yl)sulfanylpyridin-3-amine?
The canonical SMILES for 6-methoxy-2-(1-methylpyrazol-4-yl)sulfanylpyridin-3-amine is COc1ccc(N)c(Sc2cnn(C)c2)n1.
What is the InChIKey of 6-methoxy-2-(1-methylpyrazol-4-yl)sulfanylpyridin-3-amine?
The InChIKey is RDMOVUNGIFZEMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4OS/c1-14-6-7(5-12-14)16-10-8(11)3-4-9(13-10)15-2/h3-6H,11H2,1-2H3.
What are the key properties of 6-methoxy-2-(1-methylpyrazol-4-yl)sulfanylpyridin-3-amine?
6-methoxy-2-(1-methylpyrazol-4-yl)sulfanylpyridin-3-amine has a molecular weight of 236.30 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-(1-methylpyrazol-4-yl)sulfanylpyridin-3-amine is sourced from PubChem (CID 115321381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).