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

C10H12N4 — CID 18726700

IUPAC3-(5-ethyl-4-methyl-1,2,4-triazol-3-yl)pyridine
SMILESCCc1nnc(-c2cccnc2)n1C
InChIInChI=1S/C10H12N4/c1-3-9-12-13-10(14(9)2)8-5-4-6-11-7-8/h4-7H,3H2,1-2H3
InChIKeySPELSVYCJYUQRS-UHFFFAOYSA-N
MW188.23 g/mol
LogP1.44
Rot. Bonds2

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

3-(5-ethyl-4-methyl-1,2,4-triazol-3-yl)pyridine (PubChem CID 18726700) has the molecular formula C10H12N4 and a molecular weight of 188.23 g/mol. Its IUPAC name is 3-(5-ethyl-4-methyl-1,2,4-triazol-3-yl)pyridine.

Molecular Properties

Compound Name3-(5-ethyl-4-methyl-1,2,4-triazol-3-yl)pyridine
PubChem CID18726700
Molecular FormulaC10H12N4
Molecular Weight188.23 g/mol
Exact Mass188.11
IUPAC Name3-(5-ethyl-4-methyl-1,2,4-triazol-3-yl)pyridine
SMILESCCc1nnc(-c2cccnc2)n1C
InChIInChI=1S/C10H12N4/c1-3-9-12-13-10(14(9)2)8-5-4-6-11-7-8/h4-7H,3H2,1-2H3
InChIKeySPELSVYCJYUQRS-UHFFFAOYSA-N
XLogP1.44
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-dipyridin-3-yl-1,2,4-triazol-4-amine
CID 2768013
3-[5-(3-chloropropylsulfanyl)-4-methyl-1,2,4-triazol-3-yl]pyridine
CID 53417310
3-[4-methyl-5-[5-methyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1,2,4-triazol-3-yl]pyridine
CID 67959082
1-(4-chlorophenyl)-2-[(4-methyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]ethanol
CID 110884756
3-[4-(2-methoxyethyl)-5-methyl-1,2,4-triazol-3-yl]pyridine
CID 142354015
2,4-dimethyl-5-pyridin-3-yl-1,2,4-triazol-3-one
CID 126953697
3-[5-[(4-tert-butylphenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]pyridine
CID 865925
3-[4-methyl-5-(2-piperidin-1-ylethylsulfanyl)-1,2,4-triazol-3-yl]pyridine
CID 864779
3-[5-[[(1S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]pyridine
CID 126827285
3-[5-[(2,5-dimethylphenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]pyridine
CID 937850
butyl 2-[(4-methyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetate
CID 78764683
3-[5-[3-[(2,6-dimethylphenyl)methyl]but-3-enyl]-4-ethyl-1,2,4-triazol-3-yl]pyridine
CID 90366839

Frequently Asked Questions

What is the IUPAC name of 3-(5-ethyl-4-methyl-1,2,4-triazol-3-yl)pyridine?
The IUPAC name of 3-(5-ethyl-4-methyl-1,2,4-triazol-3-yl)pyridine (CID 18726700) is 3-(5-ethyl-4-methyl-1,2,4-triazol-3-yl)pyridine.
What is the SMILES notation for 3-(5-ethyl-4-methyl-1,2,4-triazol-3-yl)pyridine?
The canonical SMILES for 3-(5-ethyl-4-methyl-1,2,4-triazol-3-yl)pyridine is CCc1nnc(-c2cccnc2)n1C.
What is the InChIKey of 3-(5-ethyl-4-methyl-1,2,4-triazol-3-yl)pyridine?
The InChIKey is SPELSVYCJYUQRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4/c1-3-9-12-13-10(14(9)2)8-5-4-6-11-7-8/h4-7H,3H2,1-2H3.
What are the key properties of 3-(5-ethyl-4-methyl-1,2,4-triazol-3-yl)pyridine?
3-(5-ethyl-4-methyl-1,2,4-triazol-3-yl)pyridine has a molecular weight of 188.23 g/mol, XLogP of 1.44, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-ethyl-4-methyl-1,2,4-triazol-3-yl)pyridine is sourced from PubChem (CID 18726700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).