4-(5-ethyl-4-methyl-1,2,4-triazol-3-yl)-1H-pyridine-2-thione

C10H12N4S — CID 174650832

IUPAC4-(5-ethyl-4-methyl-1,2,4-triazol-3-yl)-1H-pyridine-2-thione
SMILESCCc1nnc(-c2cc[nH]c(=S)c2)n1C
InChIInChI=1S/C10H12N4S/c1-3-8-12-13-10(14(8)2)7-4-5-11-9(15)6-7/h4-6H,3H2,1-2H3,(H,11,15)
InChIKeyIEYQHQZQENDOIZ-UHFFFAOYSA-N
MW220.30 g/mol
LogP2.10
Rot. Bonds2

About 4-(5-ethyl-4-methyl-1,2,4-triazol-3-yl)-1H-pyridine-2-thione

4-(5-ethyl-4-methyl-1,2,4-triazol-3-yl)-1H-pyridine-2-thione (PubChem CID 174650832) has the molecular formula C10H12N4S and a molecular weight of 220.30 g/mol. Its IUPAC name is 4-(5-ethyl-4-methyl-1,2,4-triazol-3-yl)-1H-pyridine-2-thione.

Molecular Properties

Compound Name4-(5-ethyl-4-methyl-1,2,4-triazol-3-yl)-1H-pyridine-2-thione
PubChem CID174650832
Molecular FormulaC10H12N4S
Molecular Weight220.30 g/mol
Exact Mass220.08
IUPAC Name4-(5-ethyl-4-methyl-1,2,4-triazol-3-yl)-1H-pyridine-2-thione
SMILESCCc1nnc(-c2cc[nH]c(=S)c2)n1C
InChIInChI=1S/C10H12N4S/c1-3-8-12-13-10(14(8)2)7-4-5-11-9(15)6-7/h4-6H,3H2,1-2H3,(H,11,15)
InChIKeyIEYQHQZQENDOIZ-UHFFFAOYSA-N
XLogP2.10
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.30
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[4-[5-amino-1-(methylamino)-1,2,4-triazol-3-yl]-1H-pyridin-2-ylidene]methanethione
CID 88355278
2-imino-5-(5-methyl-1H-1,2,4-triazol-3-yl)pyridine-1-carbothioamide
CID 123434713
N,4-dimethyl-5-(1-methyl-2H-pyridin-4-yl)-1,2,4-triazol-3-amine
CID 141239647
3,4-dimethyl-5-[(E,1Z)-1-(2-methyl-1,2-dihydropyrrol-3-ylidene)but-2-en-2-yl]-1,2,4-triazole
CID 142140854
3-(4,5-dimethyl-1,2,4-triazol-3-yl)-1H-pyridine-2-thione
CID 174648441

Frequently Asked Questions

What is the IUPAC name of 4-(5-ethyl-4-methyl-1,2,4-triazol-3-yl)-1H-pyridine-2-thione?
The IUPAC name of 4-(5-ethyl-4-methyl-1,2,4-triazol-3-yl)-1H-pyridine-2-thione (CID 174650832) is 4-(5-ethyl-4-methyl-1,2,4-triazol-3-yl)-1H-pyridine-2-thione.
What is the SMILES notation for 4-(5-ethyl-4-methyl-1,2,4-triazol-3-yl)-1H-pyridine-2-thione?
The canonical SMILES for 4-(5-ethyl-4-methyl-1,2,4-triazol-3-yl)-1H-pyridine-2-thione is CCc1nnc(-c2cc[nH]c(=S)c2)n1C.
What is the InChIKey of 4-(5-ethyl-4-methyl-1,2,4-triazol-3-yl)-1H-pyridine-2-thione?
The InChIKey is IEYQHQZQENDOIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4S/c1-3-8-12-13-10(14(8)2)7-4-5-11-9(15)6-7/h4-6H,3H2,1-2H3,(H,11,15).
What are the key properties of 4-(5-ethyl-4-methyl-1,2,4-triazol-3-yl)-1H-pyridine-2-thione?
4-(5-ethyl-4-methyl-1,2,4-triazol-3-yl)-1H-pyridine-2-thione has a molecular weight of 220.30 g/mol, XLogP of 2.10, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-ethyl-4-methyl-1,2,4-triazol-3-yl)-1H-pyridine-2-thione is sourced from PubChem (CID 174650832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).