6-(1-methylimidazol-2-yl)sulfanylpyridin-3-amine;hydrochloride

C9H11ClN4S — CID 56761452

IUPAC6-(1-methylimidazol-2-yl)sulfanylpyridin-3-amine;hydrochloride
SMILESCl.Cn1ccnc1Sc1ccc(N)cn1
InChIInChI=1S/C9H10N4S.ClH/c1-13-5-4-11-9(13)14-8-3-2-7(10)6-12-8;/h2-6H,10H2,1H3;1H
InChIKeyKRINRFPQCNAJKQ-UHFFFAOYSA-N
MW242.74 g/mol
LogP1.97
Rot. Bonds2

About 6-(1-methylimidazol-2-yl)sulfanylpyridin-3-amine;hydrochloride

6-(1-methylimidazol-2-yl)sulfanylpyridin-3-amine;hydrochloride (PubChem CID 56761452) has the molecular formula C9H11ClN4S and a molecular weight of 242.74 g/mol. Its IUPAC name is 6-(1-methylimidazol-2-yl)sulfanylpyridin-3-amine;hydrochloride.

Molecular Properties

Compound Name6-(1-methylimidazol-2-yl)sulfanylpyridin-3-amine;hydrochloride
PubChem CID56761452
Molecular FormulaC9H11ClN4S
Molecular Weight242.74 g/mol
Exact Mass242.04
IUPAC Name6-(1-methylimidazol-2-yl)sulfanylpyridin-3-amine;hydrochloride
SMILESCl.Cn1ccnc1Sc1ccc(N)cn1
InChIInChI=1S/C9H10N4S.ClH/c1-13-5-4-11-9(13)14-8-3-2-7(10)6-12-8;/h2-6H,10H2,1H3;1H
InChIKeyKRINRFPQCNAJKQ-UHFFFAOYSA-N
XLogP1.97
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.74
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(1-methylimidazol-2-yl)sulfanylpyridin-3-amine;hydrochloride?
The IUPAC name of 6-(1-methylimidazol-2-yl)sulfanylpyridin-3-amine;hydrochloride (CID 56761452) is 6-(1-methylimidazol-2-yl)sulfanylpyridin-3-amine;hydrochloride.
What is the SMILES notation for 6-(1-methylimidazol-2-yl)sulfanylpyridin-3-amine;hydrochloride?
The canonical SMILES for 6-(1-methylimidazol-2-yl)sulfanylpyridin-3-amine;hydrochloride is Cl.Cn1ccnc1Sc1ccc(N)cn1.
What is the InChIKey of 6-(1-methylimidazol-2-yl)sulfanylpyridin-3-amine;hydrochloride?
The InChIKey is KRINRFPQCNAJKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4S.ClH/c1-13-5-4-11-9(13)14-8-3-2-7(10)6-12-8;/h2-6H,10H2,1H3;1H.
What are the key properties of 6-(1-methylimidazol-2-yl)sulfanylpyridin-3-amine;hydrochloride?
6-(1-methylimidazol-2-yl)sulfanylpyridin-3-amine;hydrochloride has a molecular weight of 242.74 g/mol, XLogP of 1.97, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-methylimidazol-2-yl)sulfanylpyridin-3-amine;hydrochloride is sourced from PubChem (CID 56761452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).