4-[4-ethyl-5-(ethylamino)-1,2,4-triazol-3-yl]-1-methylpyridin-2-one

C12H17N5O — CID 114039678

IUPAC4-[4-ethyl-5-(ethylamino)-1,2,4-triazol-3-yl]-1-methylpyridin-2-one
SMILESCCNc1nnc(-c2ccn(C)c(=O)c2)n1CC
InChIInChI=1S/C12H17N5O/c1-4-13-12-15-14-11(17(12)5-2)9-6-7-16(3)10(18)8-9/h6-8H,4-5H2,1-3H3,(H,13,15)
InChIKeyQPCDDEPZUNPODK-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.10
Rot. Bonds4

About 4-[4-ethyl-5-(ethylamino)-1,2,4-triazol-3-yl]-1-methylpyridin-2-one

4-[4-ethyl-5-(ethylamino)-1,2,4-triazol-3-yl]-1-methylpyridin-2-one (PubChem CID 114039678) has the molecular formula C12H17N5O and a molecular weight of 247.30 g/mol. Its IUPAC name is 4-[4-ethyl-5-(ethylamino)-1,2,4-triazol-3-yl]-1-methylpyridin-2-one.

Molecular Properties

Compound Name4-[4-ethyl-5-(ethylamino)-1,2,4-triazol-3-yl]-1-methylpyridin-2-one
PubChem CID114039678
Molecular FormulaC12H17N5O
Molecular Weight247.30 g/mol
Exact Mass247.14
IUPAC Name4-[4-ethyl-5-(ethylamino)-1,2,4-triazol-3-yl]-1-methylpyridin-2-one
SMILESCCNc1nnc(-c2ccn(C)c(=O)c2)n1CC
InChIInChI=1S/C12H17N5O/c1-4-13-12-15-14-11(17(12)5-2)9-6-7-16(3)10(18)8-9/h6-8H,4-5H2,1-3H3,(H,13,15)
InChIKeyQPCDDEPZUNPODK-UHFFFAOYSA-N
XLogP1.10
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-chloro-4-[4-ethyl-5-(ethylamino)-1,2,4-triazol-3-yl]phenol
CID 136926768
5-[4-ethyl-5-(ethylamino)-1,2,4-triazol-3-yl]-2-methylphenol
CID 112596621
N,4-diethyl-5-(3-fluoro-4-methylphenyl)-1,2,4-triazol-3-amine
CID 112596797
2-amino-4-[4-ethyl-5-(ethylamino)-1,2,4-triazol-3-yl]phenol
CID 136872417
5-[2-(aminomethyl)-4-pyridinyl]-N,4-diethyl-1,2,4-triazol-3-amine
CID 112597554
5-(3-amino-4-fluorophenyl)-N,4-diethyl-1,2,4-triazol-3-amine
CID 112597491
N,4-diethyl-5-(5-methyl-3-pyridinyl)-1,2,4-triazol-3-amine
CID 112596836
5-(3-bromo-5-methylphenyl)-N,4-diethyl-1,2,4-triazol-3-amine
CID 104851072
N,4-diethyl-5-(3-ethyl-1-methylpyrazol-5-yl)-1,2,4-triazol-3-amine
CID 112596806
5-(1,3-dimethylpyrazol-4-yl)-N,4-diethyl-1,2,4-triazol-3-amine
CID 102801445
5-(3-amino-5-bromophenyl)-N,4-diethyl-1,2,4-triazol-3-amine
CID 112597550
N,4-diethyl-5-(5-methylthiophen-2-yl)-1,2,4-triazol-3-amine
CID 112596811

Frequently Asked Questions

What is the IUPAC name of 4-[4-ethyl-5-(ethylamino)-1,2,4-triazol-3-yl]-1-methylpyridin-2-one?
The IUPAC name of 4-[4-ethyl-5-(ethylamino)-1,2,4-triazol-3-yl]-1-methylpyridin-2-one (CID 114039678) is 4-[4-ethyl-5-(ethylamino)-1,2,4-triazol-3-yl]-1-methylpyridin-2-one.
What is the SMILES notation for 4-[4-ethyl-5-(ethylamino)-1,2,4-triazol-3-yl]-1-methylpyridin-2-one?
The canonical SMILES for 4-[4-ethyl-5-(ethylamino)-1,2,4-triazol-3-yl]-1-methylpyridin-2-one is CCNc1nnc(-c2ccn(C)c(=O)c2)n1CC.
What is the InChIKey of 4-[4-ethyl-5-(ethylamino)-1,2,4-triazol-3-yl]-1-methylpyridin-2-one?
The InChIKey is QPCDDEPZUNPODK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O/c1-4-13-12-15-14-11(17(12)5-2)9-6-7-16(3)10(18)8-9/h6-8H,4-5H2,1-3H3,(H,13,15).
What are the key properties of 4-[4-ethyl-5-(ethylamino)-1,2,4-triazol-3-yl]-1-methylpyridin-2-one?
4-[4-ethyl-5-(ethylamino)-1,2,4-triazol-3-yl]-1-methylpyridin-2-one has a molecular weight of 247.30 g/mol, XLogP of 1.10, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-ethyl-5-(ethylamino)-1,2,4-triazol-3-yl]-1-methylpyridin-2-one is sourced from PubChem (CID 114039678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).