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

C16H24N6O2 — CID 56703924

IUPAC4-ethyl-2-methyl-5-[[1-(2-methyl-1H-imidazole-5-carbonyl)piperidin-4-yl]methyl]-1,2,4-triazol-3-one
SMILESCCn1c(CC2CCN(C(=O)c3cnc(C)[nH]3)CC2)nn(C)c1=O
InChIInChI=1S/C16H24N6O2/c1-4-22-14(19-20(3)16(22)24)9-12-5-7-21(8-6-12)15(23)13-10-17-11(2)18-13/h10,12H,4-9H2,1-3H3,(H,17,18)
InChIKeyRWZZSNHVFLPKSO-UHFFFAOYSA-N
MW332.41 g/mol
LogP0.73
Rot. Bonds4

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

4-ethyl-2-methyl-5-[[1-(2-methyl-1H-imidazole-5-carbonyl)piperidin-4-yl]methyl]-1,2,4-triazol-3-one (PubChem CID 56703924) has the molecular formula C16H24N6O2 and a molecular weight of 332.41 g/mol. Its IUPAC name is 4-ethyl-2-methyl-5-[[1-(2-methyl-1H-imidazole-5-carbonyl)piperidin-4-yl]methyl]-1,2,4-triazol-3-one.

Molecular Properties

Compound Name4-ethyl-2-methyl-5-[[1-(2-methyl-1H-imidazole-5-carbonyl)piperidin-4-yl]methyl]-1,2,4-triazol-3-one
PubChem CID56703924
Molecular FormulaC16H24N6O2
Molecular Weight332.41 g/mol
Exact Mass332.20
IUPAC Name4-ethyl-2-methyl-5-[[1-(2-methyl-1H-imidazole-5-carbonyl)piperidin-4-yl]methyl]-1,2,4-triazol-3-one
SMILESCCn1c(CC2CCN(C(=O)c3cnc(C)[nH]3)CC2)nn(C)c1=O
InChIInChI=1S/C16H24N6O2/c1-4-22-14(19-20(3)16(22)24)9-12-5-7-21(8-6-12)15(23)13-10-17-11(2)18-13/h10,12H,4-9H2,1-3H3,(H,17,18)
InChIKeyRWZZSNHVFLPKSO-UHFFFAOYSA-N
XLogP0.73
TPSA88.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-methyl-5-[[1-(2-methyl-1H-imidazole-5-carbonyl)piperidin-4-yl]methyl]-1,2,4-triazol-3-one?
The IUPAC name of 4-ethyl-2-methyl-5-[[1-(2-methyl-1H-imidazole-5-carbonyl)piperidin-4-yl]methyl]-1,2,4-triazol-3-one (CID 56703924) is 4-ethyl-2-methyl-5-[[1-(2-methyl-1H-imidazole-5-carbonyl)piperidin-4-yl]methyl]-1,2,4-triazol-3-one.
What is the SMILES notation for 4-ethyl-2-methyl-5-[[1-(2-methyl-1H-imidazole-5-carbonyl)piperidin-4-yl]methyl]-1,2,4-triazol-3-one?
The canonical SMILES for 4-ethyl-2-methyl-5-[[1-(2-methyl-1H-imidazole-5-carbonyl)piperidin-4-yl]methyl]-1,2,4-triazol-3-one is CCn1c(CC2CCN(C(=O)c3cnc(C)[nH]3)CC2)nn(C)c1=O.
What is the InChIKey of 4-ethyl-2-methyl-5-[[1-(2-methyl-1H-imidazole-5-carbonyl)piperidin-4-yl]methyl]-1,2,4-triazol-3-one?
The InChIKey is RWZZSNHVFLPKSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N6O2/c1-4-22-14(19-20(3)16(22)24)9-12-5-7-21(8-6-12)15(23)13-10-17-11(2)18-13/h10,12H,4-9H2,1-3H3,(H,17,18).
What are the key properties of 4-ethyl-2-methyl-5-[[1-(2-methyl-1H-imidazole-5-carbonyl)piperidin-4-yl]methyl]-1,2,4-triazol-3-one?
4-ethyl-2-methyl-5-[[1-(2-methyl-1H-imidazole-5-carbonyl)piperidin-4-yl]methyl]-1,2,4-triazol-3-one has a molecular weight of 332.41 g/mol, XLogP of 0.73, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-methyl-5-[[1-(2-methyl-1H-imidazole-5-carbonyl)piperidin-4-yl]methyl]-1,2,4-triazol-3-one is sourced from PubChem (CID 56703924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).