7-(2-hydroxyethyl)-2-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one

C14H23N5O2 — CID 72903762

IUPAC7-(2-hydroxyethyl)-2-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one
SMILESCn1cnnc1CN1CCC2(CCCN(CCO)C2=O)C1
InChIInChI=1S/C14H23N5O2/c1-17-11-15-16-12(17)9-18-6-4-14(10-18)3-2-5-19(7-8-20)13(14)21/h11,20H,2-10H2,1H3
InChIKeyKHJMISGVHUJUKZ-UHFFFAOYSA-N
MW293.37 g/mol
LogP-0.38
Rot. Bonds4

About 7-(2-hydroxyethyl)-2-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one

7-(2-hydroxyethyl)-2-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 72903762) has the molecular formula C14H23N5O2 and a molecular weight of 293.37 g/mol. Its IUPAC name is 7-(2-hydroxyethyl)-2-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name7-(2-hydroxyethyl)-2-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one
PubChem CID72903762
Molecular FormulaC14H23N5O2
Molecular Weight293.37 g/mol
Exact Mass293.19
IUPAC Name7-(2-hydroxyethyl)-2-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one
SMILESCn1cnnc1CN1CCC2(CCCN(CCO)C2=O)C1
InChIInChI=1S/C14H23N5O2/c1-17-11-15-16-12(17)9-18-6-4-14(10-18)3-2-5-19(7-8-20)13(14)21/h11,20H,2-10H2,1H3
InChIKeyKHJMISGVHUJUKZ-UHFFFAOYSA-N
XLogP-0.38
TPSA74.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 5-0.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 7-(2-hydroxyethyl)-2-[(4-methyl-1,2,4-triazol-3-yl)methyl]-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 7-(2-hydroxyethyl)-2-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of 7-(2-hydroxyethyl)-2-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one (CID 72903762) is 7-(2-hydroxyethyl)-2-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for 7-(2-hydroxyethyl)-2-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for 7-(2-hydroxyethyl)-2-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one is Cn1cnnc1CN1CCC2(CCCN(CCO)C2=O)C1.
What is the InChIKey of 7-(2-hydroxyethyl)-2-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is KHJMISGVHUJUKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O2/c1-17-11-15-16-12(17)9-18-6-4-14(10-18)3-2-5-19(7-8-20)13(14)21/h11,20H,2-10H2,1H3.
What are the key properties of 7-(2-hydroxyethyl)-2-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one?
7-(2-hydroxyethyl)-2-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 293.37 g/mol, XLogP of -0.38, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-hydroxyethyl)-2-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 72903762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).