9-(2-hydroxyethyl)-1-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1,9-diazaspiro[4.5]decan-10-one

C14H23N5O2 — CID 162633473

IUPAC9-(2-hydroxyethyl)-1-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1,9-diazaspiro[4.5]decan-10-one
SMILESCc1nc(CN2CCCC23CCCN(CCO)C3=O)n[nH]1
InChIInChI=1S/C14H23N5O2/c1-11-15-12(17-16-11)10-19-7-3-5-14(19)4-2-6-18(8-9-20)13(14)21/h20H,2-10H2,1H3,(H,15,16,17)
InChIKeyQBXBPCOEXCVBPJ-UHFFFAOYSA-N
MW293.37 g/mol
LogP0.06
Rot. Bonds4

About 9-(2-hydroxyethyl)-1-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1,9-diazaspiro[4.5]decan-10-one

9-(2-hydroxyethyl)-1-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1,9-diazaspiro[4.5]decan-10-one (PubChem CID 162633473) has the molecular formula C14H23N5O2 and a molecular weight of 293.37 g/mol. Its IUPAC name is 9-(2-hydroxyethyl)-1-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1,9-diazaspiro[4.5]decan-10-one.

Molecular Properties

Compound Name9-(2-hydroxyethyl)-1-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1,9-diazaspiro[4.5]decan-10-one
PubChem CID162633473
Molecular FormulaC14H23N5O2
Molecular Weight293.37 g/mol
Exact Mass293.19
IUPAC Name9-(2-hydroxyethyl)-1-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1,9-diazaspiro[4.5]decan-10-one
SMILESCc1nc(CN2CCCC23CCCN(CCO)C3=O)n[nH]1
InChIInChI=1S/C14H23N5O2/c1-11-15-12(17-16-11)10-19-7-3-5-14(19)4-2-6-18(8-9-20)13(14)21/h20H,2-10H2,1H3,(H,15,16,17)
InChIKeyQBXBPCOEXCVBPJ-UHFFFAOYSA-N
XLogP0.06
TPSA85.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 9-(2-hydroxyethyl)-1-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1,9-diazaspiro[4.5]decan-10-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 9-(2-hydroxyethyl)-1-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1,9-diazaspiro[4.5]decan-10-one?
The IUPAC name of 9-(2-hydroxyethyl)-1-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1,9-diazaspiro[4.5]decan-10-one (CID 162633473) is 9-(2-hydroxyethyl)-1-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1,9-diazaspiro[4.5]decan-10-one.
What is the SMILES notation for 9-(2-hydroxyethyl)-1-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1,9-diazaspiro[4.5]decan-10-one?
The canonical SMILES for 9-(2-hydroxyethyl)-1-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1,9-diazaspiro[4.5]decan-10-one is Cc1nc(CN2CCCC23CCCN(CCO)C3=O)n[nH]1.
What is the InChIKey of 9-(2-hydroxyethyl)-1-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1,9-diazaspiro[4.5]decan-10-one?
The InChIKey is QBXBPCOEXCVBPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O2/c1-11-15-12(17-16-11)10-19-7-3-5-14(19)4-2-6-18(8-9-20)13(14)21/h20H,2-10H2,1H3,(H,15,16,17).
What are the key properties of 9-(2-hydroxyethyl)-1-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1,9-diazaspiro[4.5]decan-10-one?
9-(2-hydroxyethyl)-1-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1,9-diazaspiro[4.5]decan-10-one has a molecular weight of 293.37 g/mol, XLogP of 0.06, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2-hydroxyethyl)-1-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1,9-diazaspiro[4.5]decan-10-one is sourced from PubChem (CID 162633473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).