3-ethyl-2-pyridin-2-yl-1H-1,2,4-triazol-5-one

C9H10N4O — CID 13091840

IUPAC3-ethyl-2-pyridin-2-yl-1H-1,2,4-triazol-5-one
SMILESCCc1nc(=O)[nH]n1-c1ccccn1
InChIInChI=1S/C9H10N4O/c1-2-7-11-9(14)12-13(7)8-5-3-4-6-10-8/h3-6H,2H2,1H3,(H,12,14)
InChIKeyYHYIMKQTSIKPRL-UHFFFAOYSA-N
MW190.21 g/mol
LogP0.52
Rot. Bonds2

About 3-ethyl-2-pyridin-2-yl-1H-1,2,4-triazol-5-one

3-ethyl-2-pyridin-2-yl-1H-1,2,4-triazol-5-one (PubChem CID 13091840) has the molecular formula C9H10N4O and a molecular weight of 190.21 g/mol. Its IUPAC name is 3-ethyl-2-pyridin-2-yl-1H-1,2,4-triazol-5-one.

Molecular Properties

Compound Name3-ethyl-2-pyridin-2-yl-1H-1,2,4-triazol-5-one
PubChem CID13091840
Molecular FormulaC9H10N4O
Molecular Weight190.21 g/mol
Exact Mass190.09
IUPAC Name3-ethyl-2-pyridin-2-yl-1H-1,2,4-triazol-5-one
SMILESCCc1nc(=O)[nH]n1-c1ccccn1
InChIInChI=1S/C9H10N4O/c1-2-7-11-9(14)12-13(7)8-5-3-4-6-10-8/h3-6H,2H2,1H3,(H,12,14)
InChIKeyYHYIMKQTSIKPRL-UHFFFAOYSA-N
XLogP0.52
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.21
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-propan-2-yl-2-pyridin-2-yl-1H-1,2,4-triazol-5-one
CID 13091850
3-ethyl-2-methyl-1H-1,2,4-triazol-5-one
CID 144878252
5-pentyl-2-pyridin-2-yl-1H-pyrazol-3-one
CID 18780322
5-phenyl-4-propyl-2-pyridin-2-yl-1H-pyrazol-3-one
CID 51036475
5-[4-(4-methoxyphenyl)phenyl]-2-pyridin-2-yl-1H-pyrazol-3-one
CID 51036276
5-methyl-4-(1-phenylethyl)-2-pyridin-2-yl-1H-pyrazol-3-one
CID 67455915
methyl 3-oxo-2-pyridin-2-yl-1H-pyrazole-5-carboxylate
CID 102143711
3-oxo-2-pyridin-2-yl-1H-pyrazole-5-carboxylic acid
CID 86705136
4-[(4-hydroxyphenyl)methyl]-5-methyl-2-pyridin-2-yl-1H-pyrazol-3-one
CID 46834055
2-pyridin-2-yl-1H-pyrazol-5-one
CID 11457847
2-pyridin-2-yl-1,4,5,6,7,8-hexahydrocyclohepta[c]pyrazol-3-one
CID 66022503
6-[(4-methoxyphenyl)methyl]-2-pyridin-2-yl-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one
CID 156806650

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-pyridin-2-yl-1H-1,2,4-triazol-5-one?
The IUPAC name of 3-ethyl-2-pyridin-2-yl-1H-1,2,4-triazol-5-one (CID 13091840) is 3-ethyl-2-pyridin-2-yl-1H-1,2,4-triazol-5-one.
What is the SMILES notation for 3-ethyl-2-pyridin-2-yl-1H-1,2,4-triazol-5-one?
The canonical SMILES for 3-ethyl-2-pyridin-2-yl-1H-1,2,4-triazol-5-one is CCc1nc(=O)[nH]n1-c1ccccn1.
What is the InChIKey of 3-ethyl-2-pyridin-2-yl-1H-1,2,4-triazol-5-one?
The InChIKey is YHYIMKQTSIKPRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O/c1-2-7-11-9(14)12-13(7)8-5-3-4-6-10-8/h3-6H,2H2,1H3,(H,12,14).
What are the key properties of 3-ethyl-2-pyridin-2-yl-1H-1,2,4-triazol-5-one?
3-ethyl-2-pyridin-2-yl-1H-1,2,4-triazol-5-one has a molecular weight of 190.21 g/mol, XLogP of 0.52, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-pyridin-2-yl-1H-1,2,4-triazol-5-one is sourced from PubChem (CID 13091840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).