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

C14H22N8O2 — CID 56723349

IUPAC4-ethyl-3-[1-[3-(5-methyltetrazol-1-yl)propanoyl]piperidin-3-yl]-1H-1,2,4-triazol-5-one
SMILESCCn1c(C2CCCN(C(=O)CCn3nnnc3C)C2)n[nH]c1=O
InChIInChI=1S/C14H22N8O2/c1-3-21-13(16-17-14(21)24)11-5-4-7-20(9-11)12(23)6-8-22-10(2)15-18-19-22/h11H,3-9H2,1-2H3,(H,17,24)
InChIKeyGPOBWOHBXYFYOE-UHFFFAOYSA-N
MW334.38 g/mol
LogP-0.32
Rot. Bonds5

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

4-ethyl-3-[1-[3-(5-methyltetrazol-1-yl)propanoyl]piperidin-3-yl]-1H-1,2,4-triazol-5-one (PubChem CID 56723349) has the molecular formula C14H22N8O2 and a molecular weight of 334.38 g/mol. Its IUPAC name is 4-ethyl-3-[1-[3-(5-methyltetrazol-1-yl)propanoyl]piperidin-3-yl]-1H-1,2,4-triazol-5-one.

Molecular Properties

Compound Name4-ethyl-3-[1-[3-(5-methyltetrazol-1-yl)propanoyl]piperidin-3-yl]-1H-1,2,4-triazol-5-one
PubChem CID56723349
Molecular FormulaC14H22N8O2
Molecular Weight334.38 g/mol
Exact Mass334.19
IUPAC Name4-ethyl-3-[1-[3-(5-methyltetrazol-1-yl)propanoyl]piperidin-3-yl]-1H-1,2,4-triazol-5-one
SMILESCCn1c(C2CCCN(C(=O)CCn3nnnc3C)C2)n[nH]c1=O
InChIInChI=1S/C14H22N8O2/c1-3-21-13(16-17-14(21)24)11-5-4-7-20(9-11)12(23)6-8-22-10(2)15-18-19-22/h11H,3-9H2,1-2H3,(H,17,24)
InChIKeyGPOBWOHBXYFYOE-UHFFFAOYSA-N
XLogP-0.32
TPSA114.59 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 5-0.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-3-[1-[3-(5-methyltetrazol-1-yl)propanoyl]piperidin-3-yl]-1H-1,2,4-triazol-5-one?
The IUPAC name of 4-ethyl-3-[1-[3-(5-methyltetrazol-1-yl)propanoyl]piperidin-3-yl]-1H-1,2,4-triazol-5-one (CID 56723349) is 4-ethyl-3-[1-[3-(5-methyltetrazol-1-yl)propanoyl]piperidin-3-yl]-1H-1,2,4-triazol-5-one.
What is the SMILES notation for 4-ethyl-3-[1-[3-(5-methyltetrazol-1-yl)propanoyl]piperidin-3-yl]-1H-1,2,4-triazol-5-one?
The canonical SMILES for 4-ethyl-3-[1-[3-(5-methyltetrazol-1-yl)propanoyl]piperidin-3-yl]-1H-1,2,4-triazol-5-one is CCn1c(C2CCCN(C(=O)CCn3nnnc3C)C2)n[nH]c1=O.
What is the InChIKey of 4-ethyl-3-[1-[3-(5-methyltetrazol-1-yl)propanoyl]piperidin-3-yl]-1H-1,2,4-triazol-5-one?
The InChIKey is GPOBWOHBXYFYOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N8O2/c1-3-21-13(16-17-14(21)24)11-5-4-7-20(9-11)12(23)6-8-22-10(2)15-18-19-22/h11H,3-9H2,1-2H3,(H,17,24).
What are the key properties of 4-ethyl-3-[1-[3-(5-methyltetrazol-1-yl)propanoyl]piperidin-3-yl]-1H-1,2,4-triazol-5-one?
4-ethyl-3-[1-[3-(5-methyltetrazol-1-yl)propanoyl]piperidin-3-yl]-1H-1,2,4-triazol-5-one has a molecular weight of 334.38 g/mol, XLogP of -0.32, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-3-[1-[3-(5-methyltetrazol-1-yl)propanoyl]piperidin-3-yl]-1H-1,2,4-triazol-5-one is sourced from PubChem (CID 56723349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).