2-methyl-5-(1-methylindazol-3-yl)-1H-1,2,4-triazole-3-thione

C11H11N5S — CID 103119827

IUPAC2-methyl-5-(1-methylindazol-3-yl)-1H-1,2,4-triazole-3-thione
SMILESCn1[nH]c(-c2nn(C)c3ccccc23)nc1=S
InChIInChI=1S/C11H11N5S/c1-15-8-6-4-3-5-7(8)9(13-15)10-12-11(17)16(2)14-10/h3-6H,1-2H3,(H,12,14,17)
InChIKeyURCODYCFBRHVAJ-UHFFFAOYSA-N
MW245.31 g/mol
LogP2.03
Rot. Bonds1

About 2-methyl-5-(1-methylindazol-3-yl)-1H-1,2,4-triazole-3-thione

2-methyl-5-(1-methylindazol-3-yl)-1H-1,2,4-triazole-3-thione (PubChem CID 103119827) has the molecular formula C11H11N5S and a molecular weight of 245.31 g/mol. Its IUPAC name is 2-methyl-5-(1-methylindazol-3-yl)-1H-1,2,4-triazole-3-thione.

Molecular Properties

Compound Name2-methyl-5-(1-methylindazol-3-yl)-1H-1,2,4-triazole-3-thione
PubChem CID103119827
Molecular FormulaC11H11N5S
Molecular Weight245.31 g/mol
Exact Mass245.07
IUPAC Name2-methyl-5-(1-methylindazol-3-yl)-1H-1,2,4-triazole-3-thione
SMILESCn1[nH]c(-c2nn(C)c3ccccc23)nc1=S
InChIInChI=1S/C11H11N5S/c1-15-8-6-4-3-5-7(8)9(13-15)10-12-11(17)16(2)14-10/h3-6H,1-2H3,(H,12,14,17)
InChIKeyURCODYCFBRHVAJ-UHFFFAOYSA-N
XLogP2.03
TPSA51.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.31
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-amino-6-(1-methylindazol-3-yl)-1H-1,3,5-triazin-2-one
CID 136980728
2-(1-methylindazol-3-yl)-3H-benzimidazol-5-ol
CID 136785862
1-methyl-3-(5-methyl-1H-1,2,4-triazol-3-yl)indazole
CID 103119734
6-chloro-2-(1-methylindazol-3-yl)-1H-benzimidazol-4-amine
CID 136785800
8-(1-methylindazol-3-yl)-7H-purin-6-amine
CID 136785887
3-iodo-5-(1-methylindazol-3-yl)-1,2,4-thiadiazole
CID 103130052
1-methyl-3-thiophen-2-ylindazole
CID 57338749
1,4-dimethyl-3-(1-methylindazol-3-yl)pyrazol-5-amine
CID 103118715
4-(1-methylindazol-3-yl)-2-phenyl-1,3-oxazole
CID 139216519
methyl 1-methyl-5-(1-methylindazol-3-yl)pyrrole-2-carboxylate
CID 58883428
5-(1-methylindazol-3-yl)thiophene-2-carbaldehyde
CID 177498837
1-methyl-3-(trifluoromethyl)indazole
CID 83446574

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(1-methylindazol-3-yl)-1H-1,2,4-triazole-3-thione?
The IUPAC name of 2-methyl-5-(1-methylindazol-3-yl)-1H-1,2,4-triazole-3-thione (CID 103119827) is 2-methyl-5-(1-methylindazol-3-yl)-1H-1,2,4-triazole-3-thione.
What is the SMILES notation for 2-methyl-5-(1-methylindazol-3-yl)-1H-1,2,4-triazole-3-thione?
The canonical SMILES for 2-methyl-5-(1-methylindazol-3-yl)-1H-1,2,4-triazole-3-thione is Cn1[nH]c(-c2nn(C)c3ccccc23)nc1=S.
What is the InChIKey of 2-methyl-5-(1-methylindazol-3-yl)-1H-1,2,4-triazole-3-thione?
The InChIKey is URCODYCFBRHVAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N5S/c1-15-8-6-4-3-5-7(8)9(13-15)10-12-11(17)16(2)14-10/h3-6H,1-2H3,(H,12,14,17).
What are the key properties of 2-methyl-5-(1-methylindazol-3-yl)-1H-1,2,4-triazole-3-thione?
2-methyl-5-(1-methylindazol-3-yl)-1H-1,2,4-triazole-3-thione has a molecular weight of 245.31 g/mol, XLogP of 2.03, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(1-methylindazol-3-yl)-1H-1,2,4-triazole-3-thione is sourced from PubChem (CID 103119827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).