(5S)-7-ethyl-2-(5-methyl-2H-triazole-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one

C14H21N5O2 — CID 97123640

IUPAC(5S)-7-ethyl-2-(5-methyl-2H-triazole-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
SMILESCCN1CCC[C@@]2(CCN(C(=O)c3n[nH]nc3C)C2)C1=O
InChIInChI=1S/C14H21N5O2/c1-3-18-7-4-5-14(13(18)21)6-8-19(9-14)12(20)11-10(2)15-17-16-11/h3-9H2,1-2H3,(H,15,16,17)/t14-/m0/s1
InChIKeyWEVCYQGNZVSMMR-AWEZNQCLSA-N
MW291.35 g/mol
LogP0.59
Rot. Bonds2

About (5S)-7-ethyl-2-(5-methyl-2H-triazole-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one

(5S)-7-ethyl-2-(5-methyl-2H-triazole-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 97123640) has the molecular formula C14H21N5O2 and a molecular weight of 291.35 g/mol. Its IUPAC name is (5S)-7-ethyl-2-(5-methyl-2H-triazole-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name(5S)-7-ethyl-2-(5-methyl-2H-triazole-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
PubChem CID97123640
Molecular FormulaC14H21N5O2
Molecular Weight291.35 g/mol
Exact Mass291.17
IUPAC Name(5S)-7-ethyl-2-(5-methyl-2H-triazole-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
SMILESCCN1CCC[C@@]2(CCN(C(=O)c3n[nH]nc3C)C2)C1=O
InChIInChI=1S/C14H21N5O2/c1-3-18-7-4-5-14(13(18)21)6-8-19(9-14)12(20)11-10(2)15-17-16-11/h3-9H2,1-2H3,(H,15,16,17)/t14-/m0/s1
InChIKeyWEVCYQGNZVSMMR-AWEZNQCLSA-N
XLogP0.59
TPSA82.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (5S)-7-ethyl-2-(5-methyl-2H-triazole-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5S)-7-ethyl-2-(5-methyl-2H-triazole-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of (5S)-7-ethyl-2-(5-methyl-2H-triazole-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one (CID 97123640) is (5S)-7-ethyl-2-(5-methyl-2H-triazole-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for (5S)-7-ethyl-2-(5-methyl-2H-triazole-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for (5S)-7-ethyl-2-(5-methyl-2H-triazole-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one is CCN1CCC[C@@]2(CCN(C(=O)c3n[nH]nc3C)C2)C1=O.
What is the InChIKey of (5S)-7-ethyl-2-(5-methyl-2H-triazole-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is WEVCYQGNZVSMMR-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H21N5O2/c1-3-18-7-4-5-14(13(18)21)6-8-19(9-14)12(20)11-10(2)15-17-16-11/h3-9H2,1-2H3,(H,15,16,17)/t14-/m0/s1.
What are the key properties of (5S)-7-ethyl-2-(5-methyl-2H-triazole-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one?
(5S)-7-ethyl-2-(5-methyl-2H-triazole-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 291.35 g/mol, XLogP of 0.59, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-7-ethyl-2-(5-methyl-2H-triazole-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 97123640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).