6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-1H-indazol-5-amine

C10H10N6S — CID 107491518

IUPAC6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-1H-indazol-5-amine
SMILESCn1ncnc1Sc1cc2[nH]ncc2cc1N
InChIInChI=1S/C10H10N6S/c1-16-10(12-5-14-16)17-9-3-8-6(2-7(9)11)4-13-15-8/h2-5H,11H2,1H3,(H,13,15)
InChIKeyUUSFEDRZRDNVEC-UHFFFAOYSA-N
MW246.30 g/mol
LogP1.42
Rot. Bonds2

About 6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-1H-indazol-5-amine

6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-1H-indazol-5-amine (PubChem CID 107491518) has the molecular formula C10H10N6S and a molecular weight of 246.30 g/mol. Its IUPAC name is 6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-1H-indazol-5-amine.

Molecular Properties

Compound Name6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-1H-indazol-5-amine
PubChem CID107491518
Molecular FormulaC10H10N6S
Molecular Weight246.30 g/mol
Exact Mass246.07
IUPAC Name6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-1H-indazol-5-amine
SMILESCn1ncnc1Sc1cc2[nH]ncc2cc1N
InChIInChI=1S/C10H10N6S/c1-16-10(12-5-14-16)17-9-3-8-6(2-7(9)11)4-13-15-8/h2-5H,11H2,1H3,(H,13,15)
InChIKeyUUSFEDRZRDNVEC-UHFFFAOYSA-N
XLogP1.42
TPSA85.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.30
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

6-(5-methylpyrimidin-2-yl)sulfanyl-1H-indazol-5-amine
CID 107491447
2-[(5-amino-1H-indazol-6-yl)sulfanyl]-4-methyl-1H-pyrimidin-6-one
CID 136728223
5-fluoro-2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]aniline
CID 104602805
6-(3-methoxypropylsulfanyl)-1H-indazol-5-amine
CID 107491495
6-(1,3-benzoxazol-2-ylsulfanyl)-1H-indazol-5-amine
CID 107491370
3-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrazin-2-amine
CID 102989027
4-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyridin-2-amine
CID 104604869
[5-chloro-2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]methanamine
CID 104603463
6-N-tert-butyl-1H-indazole-5,6-diamine
CID 107488480
(1S)-1-[5-fluoro-4-methyl-2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]ethanamine
CID 113431756
1-[5-fluoro-4-methyl-2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]ethanamine
CID 113431741
3-methoxy-5-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]aniline
CID 104602844

Frequently Asked Questions

What is the IUPAC name of 6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-1H-indazol-5-amine?
The IUPAC name of 6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-1H-indazol-5-amine (CID 107491518) is 6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-1H-indazol-5-amine.
What is the SMILES notation for 6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-1H-indazol-5-amine?
The canonical SMILES for 6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-1H-indazol-5-amine is Cn1ncnc1Sc1cc2[nH]ncc2cc1N.
What is the InChIKey of 6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-1H-indazol-5-amine?
The InChIKey is UUSFEDRZRDNVEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N6S/c1-16-10(12-5-14-16)17-9-3-8-6(2-7(9)11)4-13-15-8/h2-5H,11H2,1H3,(H,13,15).
What are the key properties of 6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-1H-indazol-5-amine?
6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-1H-indazol-5-amine has a molecular weight of 246.30 g/mol, XLogP of 1.42, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-1H-indazol-5-amine is sourced from PubChem (CID 107491518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).