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

C15H24N6O — CID 56866523

IUPAC4-ethyl-3-[[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]methyl]-1H-1,2,4-triazol-5-one
SMILESCCn1c(CC2CCN(Cc3cnn(C)c3)CC2)n[nH]c1=O
InChIInChI=1S/C15H24N6O/c1-3-21-14(17-18-15(21)22)8-12-4-6-20(7-5-12)11-13-9-16-19(2)10-13/h9-10,12H,3-8,11H2,1-2H3,(H,18,22)
InChIKeyWCAXFVQYARVQFW-UHFFFAOYSA-N
MW304.40 g/mol
LogP0.78
Rot. Bonds5

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

4-ethyl-3-[[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]methyl]-1H-1,2,4-triazol-5-one (PubChem CID 56866523) has the molecular formula C15H24N6O and a molecular weight of 304.40 g/mol. Its IUPAC name is 4-ethyl-3-[[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]methyl]-1H-1,2,4-triazol-5-one.

Molecular Properties

Compound Name4-ethyl-3-[[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]methyl]-1H-1,2,4-triazol-5-one
PubChem CID56866523
Molecular FormulaC15H24N6O
Molecular Weight304.40 g/mol
Exact Mass304.20
IUPAC Name4-ethyl-3-[[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]methyl]-1H-1,2,4-triazol-5-one
SMILESCCn1c(CC2CCN(Cc3cnn(C)c3)CC2)n[nH]c1=O
InChIInChI=1S/C15H24N6O/c1-3-21-14(17-18-15(21)22)8-12-4-6-20(7-5-12)11-13-9-16-19(2)10-13/h9-10,12H,3-8,11H2,1-2H3,(H,18,22)
InChIKeyWCAXFVQYARVQFW-UHFFFAOYSA-N
XLogP0.78
TPSA71.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.40
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-3-[[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]methyl]-1H-1,2,4-triazol-5-one?
The IUPAC name of 4-ethyl-3-[[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]methyl]-1H-1,2,4-triazol-5-one (CID 56866523) is 4-ethyl-3-[[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]methyl]-1H-1,2,4-triazol-5-one.
What is the SMILES notation for 4-ethyl-3-[[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]methyl]-1H-1,2,4-triazol-5-one?
The canonical SMILES for 4-ethyl-3-[[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]methyl]-1H-1,2,4-triazol-5-one is CCn1c(CC2CCN(Cc3cnn(C)c3)CC2)n[nH]c1=O.
What is the InChIKey of 4-ethyl-3-[[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]methyl]-1H-1,2,4-triazol-5-one?
The InChIKey is WCAXFVQYARVQFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N6O/c1-3-21-14(17-18-15(21)22)8-12-4-6-20(7-5-12)11-13-9-16-19(2)10-13/h9-10,12H,3-8,11H2,1-2H3,(H,18,22).
What are the key properties of 4-ethyl-3-[[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]methyl]-1H-1,2,4-triazol-5-one?
4-ethyl-3-[[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]methyl]-1H-1,2,4-triazol-5-one has a molecular weight of 304.40 g/mol, XLogP of 0.78, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-3-[[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]methyl]-1H-1,2,4-triazol-5-one is sourced from PubChem (CID 56866523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).