4-ethyl-2-methyl-5-[1-(2-methylpyridine-3-carbonyl)piperidin-4-yl]-1,2,4-triazol-3-one

C17H23N5O2 — CID 56753977

IUPAC4-ethyl-2-methyl-5-[1-(2-methylpyridine-3-carbonyl)piperidin-4-yl]-1,2,4-triazol-3-one
SMILESCCn1c(C2CCN(C(=O)c3cccnc3C)CC2)nn(C)c1=O
InChIInChI=1S/C17H23N5O2/c1-4-22-15(19-20(3)17(22)24)13-7-10-21(11-8-13)16(23)14-6-5-9-18-12(14)2/h5-6,9,13H,4,7-8,10-11H2,1-3H3
InChIKeyRVXBZCRPKRPDFC-UHFFFAOYSA-N
MW329.40 g/mol
LogP1.32
Rot. Bonds3

About 4-ethyl-2-methyl-5-[1-(2-methylpyridine-3-carbonyl)piperidin-4-yl]-1,2,4-triazol-3-one

4-ethyl-2-methyl-5-[1-(2-methylpyridine-3-carbonyl)piperidin-4-yl]-1,2,4-triazol-3-one (PubChem CID 56753977) has the molecular formula C17H23N5O2 and a molecular weight of 329.40 g/mol. Its IUPAC name is 4-ethyl-2-methyl-5-[1-(2-methylpyridine-3-carbonyl)piperidin-4-yl]-1,2,4-triazol-3-one.

Molecular Properties

Compound Name4-ethyl-2-methyl-5-[1-(2-methylpyridine-3-carbonyl)piperidin-4-yl]-1,2,4-triazol-3-one
PubChem CID56753977
Molecular FormulaC17H23N5O2
Molecular Weight329.40 g/mol
Exact Mass329.19
IUPAC Name4-ethyl-2-methyl-5-[1-(2-methylpyridine-3-carbonyl)piperidin-4-yl]-1,2,4-triazol-3-one
SMILESCCn1c(C2CCN(C(=O)c3cccnc3C)CC2)nn(C)c1=O
InChIInChI=1S/C17H23N5O2/c1-4-22-15(19-20(3)17(22)24)13-7-10-21(11-8-13)16(23)14-6-5-9-18-12(14)2/h5-6,9,13H,4,7-8,10-11H2,1-3H3
InChIKeyRVXBZCRPKRPDFC-UHFFFAOYSA-N
XLogP1.32
TPSA73.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-ethyl-2-methyl-5-[1-(2-methylpyridine-3-carbonyl)piperidin-4-yl]-1,2,4-triazol-3-one with MolForge

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Related Compounds

methyl 2-[4-(4-ethyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidine-1-carbonyl]benzoate
CID 56701492
4-ethyl-2-methyl-5-[1-(2-methyl-1H-benzimidazole-4-carbonyl)piperidin-4-yl]-1,2,4-triazol-3-one
CID 56717417
5-[1-[2-(dimethylamino)-4-methylpyrimidine-5-carbonyl]piperidin-4-yl]-4-ethyl-2-methyl-1,2,4-triazol-3-one
CID 56700544
4-ethyl-2-methyl-5-[1-(1-methylindazole-3-carbonyl)piperidin-4-yl]-1,2,4-triazol-3-one
CID 56721319
2-[(3R)-3-(4-ethyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]pyridine-3-carboxamide
CID 95219558
N-[2-[4-(4-ethyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]-2-oxoethyl]benzamide
CID 56760663
[3-(1-aminoethyl)pyrrolidin-1-yl]-(2-methyl-3-pyridinyl)methanone
CID 112630543
4-ethyl-2-methyl-5-[1-[1-(pyrazol-1-ylmethyl)cyclopropanecarbonyl]piperidin-4-yl]-1,2,4-triazol-3-one
CID 56741717
4-ethyl-2-methyl-5-[1-(5-propylthiophene-3-carbonyl)piperidin-4-yl]-1,2,4-triazol-3-one
CID 56710711
[4-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-(2-methoxy-3-pyridinyl)methanone
CID 154737982
2-benzyl-4-ethyl-5-[1-(2-ethylsulfanylbenzoyl)piperidin-4-yl]-1,2,4-triazol-3-one
CID 121115527
[4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]-(2-methyl-3-pyridinyl)methanone
CID 111109352

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-methyl-5-[1-(2-methylpyridine-3-carbonyl)piperidin-4-yl]-1,2,4-triazol-3-one?
The IUPAC name of 4-ethyl-2-methyl-5-[1-(2-methylpyridine-3-carbonyl)piperidin-4-yl]-1,2,4-triazol-3-one (CID 56753977) is 4-ethyl-2-methyl-5-[1-(2-methylpyridine-3-carbonyl)piperidin-4-yl]-1,2,4-triazol-3-one.
What is the SMILES notation for 4-ethyl-2-methyl-5-[1-(2-methylpyridine-3-carbonyl)piperidin-4-yl]-1,2,4-triazol-3-one?
The canonical SMILES for 4-ethyl-2-methyl-5-[1-(2-methylpyridine-3-carbonyl)piperidin-4-yl]-1,2,4-triazol-3-one is CCn1c(C2CCN(C(=O)c3cccnc3C)CC2)nn(C)c1=O.
What is the InChIKey of 4-ethyl-2-methyl-5-[1-(2-methylpyridine-3-carbonyl)piperidin-4-yl]-1,2,4-triazol-3-one?
The InChIKey is RVXBZCRPKRPDFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O2/c1-4-22-15(19-20(3)17(22)24)13-7-10-21(11-8-13)16(23)14-6-5-9-18-12(14)2/h5-6,9,13H,4,7-8,10-11H2,1-3H3.
What are the key properties of 4-ethyl-2-methyl-5-[1-(2-methylpyridine-3-carbonyl)piperidin-4-yl]-1,2,4-triazol-3-one?
4-ethyl-2-methyl-5-[1-(2-methylpyridine-3-carbonyl)piperidin-4-yl]-1,2,4-triazol-3-one has a molecular weight of 329.40 g/mol, XLogP of 1.32, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-methyl-5-[1-(2-methylpyridine-3-carbonyl)piperidin-4-yl]-1,2,4-triazol-3-one is sourced from PubChem (CID 56753977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).