6-(5-methylpyrimidin-2-yl)sulfanyl-1H-indazol-5-amine

C12H11N5S — CID 107491447

IUPAC6-(5-methylpyrimidin-2-yl)sulfanyl-1H-indazol-5-amine
SMILESCc1cnc(Sc2cc3[nH]ncc3cc2N)nc1
InChIInChI=1S/C12H11N5S/c1-7-4-14-12(15-5-7)18-11-3-10-8(2-9(11)13)6-16-17-10/h2-6H,13H2,1H3,(H,16,17)
InChIKeyMPFMSGSIPZXFFZ-UHFFFAOYSA-N
MW257.32 g/mol
LogP2.39
Rot. Bonds2

About 6-(5-methylpyrimidin-2-yl)sulfanyl-1H-indazol-5-amine

6-(5-methylpyrimidin-2-yl)sulfanyl-1H-indazol-5-amine (PubChem CID 107491447) has the molecular formula C12H11N5S and a molecular weight of 257.32 g/mol. Its IUPAC name is 6-(5-methylpyrimidin-2-yl)sulfanyl-1H-indazol-5-amine.

Molecular Properties

Compound Name6-(5-methylpyrimidin-2-yl)sulfanyl-1H-indazol-5-amine
PubChem CID107491447
Molecular FormulaC12H11N5S
Molecular Weight257.32 g/mol
Exact Mass257.07
IUPAC Name6-(5-methylpyrimidin-2-yl)sulfanyl-1H-indazol-5-amine
SMILESCc1cnc(Sc2cc3[nH]ncc3cc2N)nc1
InChIInChI=1S/C12H11N5S/c1-7-4-14-12(15-5-7)18-11-3-10-8(2-9(11)13)6-16-17-10/h2-6H,13H2,1H3,(H,16,17)
InChIKeyMPFMSGSIPZXFFZ-UHFFFAOYSA-N
XLogP2.39
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.32
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(5-methylpyrimidin-2-yl)sulfanyl-1H-indazol-5-amine?
The IUPAC name of 6-(5-methylpyrimidin-2-yl)sulfanyl-1H-indazol-5-amine (CID 107491447) is 6-(5-methylpyrimidin-2-yl)sulfanyl-1H-indazol-5-amine.
What is the SMILES notation for 6-(5-methylpyrimidin-2-yl)sulfanyl-1H-indazol-5-amine?
The canonical SMILES for 6-(5-methylpyrimidin-2-yl)sulfanyl-1H-indazol-5-amine is Cc1cnc(Sc2cc3[nH]ncc3cc2N)nc1.
What is the InChIKey of 6-(5-methylpyrimidin-2-yl)sulfanyl-1H-indazol-5-amine?
The InChIKey is MPFMSGSIPZXFFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5S/c1-7-4-14-12(15-5-7)18-11-3-10-8(2-9(11)13)6-16-17-10/h2-6H,13H2,1H3,(H,16,17).
What are the key properties of 6-(5-methylpyrimidin-2-yl)sulfanyl-1H-indazol-5-amine?
6-(5-methylpyrimidin-2-yl)sulfanyl-1H-indazol-5-amine has a molecular weight of 257.32 g/mol, XLogP of 2.39, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-methylpyrimidin-2-yl)sulfanyl-1H-indazol-5-amine is sourced from PubChem (CID 107491447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).