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

C15H24N8O2 — CID 56708152

IUPAC4-ethyl-2-methyl-5-[1-[3-(5-methyltetrazol-1-yl)propanoyl]piperidin-4-yl]-1,2,4-triazol-3-one
SMILESCCn1c(C2CCN(C(=O)CCn3nnnc3C)CC2)nn(C)c1=O
InChIInChI=1S/C15H24N8O2/c1-4-22-14(17-20(3)15(22)25)12-5-8-21(9-6-12)13(24)7-10-23-11(2)16-18-19-23/h12H,4-10H2,1-3H3
InChIKeyCFFGDORBYVELAL-UHFFFAOYSA-N
MW348.41 g/mol
LogP-0.31
Rot. Bonds5

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

4-ethyl-2-methyl-5-[1-[3-(5-methyltetrazol-1-yl)propanoyl]piperidin-4-yl]-1,2,4-triazol-3-one (PubChem CID 56708152) has the molecular formula C15H24N8O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is 4-ethyl-2-methyl-5-[1-[3-(5-methyltetrazol-1-yl)propanoyl]piperidin-4-yl]-1,2,4-triazol-3-one.

Molecular Properties

Compound Name4-ethyl-2-methyl-5-[1-[3-(5-methyltetrazol-1-yl)propanoyl]piperidin-4-yl]-1,2,4-triazol-3-one
PubChem CID56708152
Molecular FormulaC15H24N8O2
Molecular Weight348.41 g/mol
Exact Mass348.20
IUPAC Name4-ethyl-2-methyl-5-[1-[3-(5-methyltetrazol-1-yl)propanoyl]piperidin-4-yl]-1,2,4-triazol-3-one
SMILESCCn1c(C2CCN(C(=O)CCn3nnnc3C)CC2)nn(C)c1=O
InChIInChI=1S/C15H24N8O2/c1-4-22-14(17-20(3)15(22)25)12-5-8-21(9-6-12)13(24)7-10-23-11(2)16-18-19-23/h12H,4-10H2,1-3H3
InChIKeyCFFGDORBYVELAL-UHFFFAOYSA-N
XLogP-0.31
TPSA103.73 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 5-0.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-methyl-5-[1-[3-(5-methyltetrazol-1-yl)propanoyl]piperidin-4-yl]-1,2,4-triazol-3-one?
The IUPAC name of 4-ethyl-2-methyl-5-[1-[3-(5-methyltetrazol-1-yl)propanoyl]piperidin-4-yl]-1,2,4-triazol-3-one (CID 56708152) is 4-ethyl-2-methyl-5-[1-[3-(5-methyltetrazol-1-yl)propanoyl]piperidin-4-yl]-1,2,4-triazol-3-one.
What is the SMILES notation for 4-ethyl-2-methyl-5-[1-[3-(5-methyltetrazol-1-yl)propanoyl]piperidin-4-yl]-1,2,4-triazol-3-one?
The canonical SMILES for 4-ethyl-2-methyl-5-[1-[3-(5-methyltetrazol-1-yl)propanoyl]piperidin-4-yl]-1,2,4-triazol-3-one is CCn1c(C2CCN(C(=O)CCn3nnnc3C)CC2)nn(C)c1=O.
What is the InChIKey of 4-ethyl-2-methyl-5-[1-[3-(5-methyltetrazol-1-yl)propanoyl]piperidin-4-yl]-1,2,4-triazol-3-one?
The InChIKey is CFFGDORBYVELAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N8O2/c1-4-22-14(17-20(3)15(22)25)12-5-8-21(9-6-12)13(24)7-10-23-11(2)16-18-19-23/h12H,4-10H2,1-3H3.
What are the key properties of 4-ethyl-2-methyl-5-[1-[3-(5-methyltetrazol-1-yl)propanoyl]piperidin-4-yl]-1,2,4-triazol-3-one?
4-ethyl-2-methyl-5-[1-[3-(5-methyltetrazol-1-yl)propanoyl]piperidin-4-yl]-1,2,4-triazol-3-one has a molecular weight of 348.41 g/mol, XLogP of -0.31, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-methyl-5-[1-[3-(5-methyltetrazol-1-yl)propanoyl]piperidin-4-yl]-1,2,4-triazol-3-one is sourced from PubChem (CID 56708152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).