(3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl)-[3-(tetrazol-1-yl)-1H-pyrazol-5-yl]methanone

C14H19N7O2 — CID 146043386

IUPAC(3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl)-[3-(tetrazol-1-yl)-1H-pyrazol-5-yl]methanone
SMILESCC1CC2(CCN(C(=O)c3cc(-n4cnnn4)n[nH]3)CC2)CO1
InChIInChI=1S/C14H19N7O2/c1-10-7-14(8-23-10)2-4-20(5-3-14)13(22)11-6-12(17-16-11)21-9-15-18-19-21/h6,9-10H,2-5,7-8H2,1H3,(H,16,17)
InChIKeyFCQAOZDJGJSQKW-UHFFFAOYSA-N
MW317.35 g/mol
LogP0.42
Rot. Bonds2

About (3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl)-[3-(tetrazol-1-yl)-1H-pyrazol-5-yl]methanone

(3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl)-[3-(tetrazol-1-yl)-1H-pyrazol-5-yl]methanone (PubChem CID 146043386) has the molecular formula C14H19N7O2 and a molecular weight of 317.35 g/mol. Its IUPAC name is (3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl)-[3-(tetrazol-1-yl)-1H-pyrazol-5-yl]methanone.

Molecular Properties

Compound Name(3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl)-[3-(tetrazol-1-yl)-1H-pyrazol-5-yl]methanone
PubChem CID146043386
Molecular FormulaC14H19N7O2
Molecular Weight317.35 g/mol
Exact Mass317.16
IUPAC Name(3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl)-[3-(tetrazol-1-yl)-1H-pyrazol-5-yl]methanone
SMILESCC1CC2(CCN(C(=O)c3cc(-n4cnnn4)n[nH]3)CC2)CO1
InChIInChI=1S/C14H19N7O2/c1-10-7-14(8-23-10)2-4-20(5-3-14)13(22)11-6-12(17-16-11)21-9-15-18-19-21/h6,9-10H,2-5,7-8H2,1H3,(H,16,17)
InChIKeyFCQAOZDJGJSQKW-UHFFFAOYSA-N
XLogP0.42
TPSA101.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl)-[3-(tetrazol-1-yl)-1H-pyrazol-5-yl]methanone 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 (3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl)-[3-(tetrazol-1-yl)-1H-pyrazol-5-yl]methanone?
The IUPAC name of (3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl)-[3-(tetrazol-1-yl)-1H-pyrazol-5-yl]methanone (CID 146043386) is (3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl)-[3-(tetrazol-1-yl)-1H-pyrazol-5-yl]methanone.
What is the SMILES notation for (3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl)-[3-(tetrazol-1-yl)-1H-pyrazol-5-yl]methanone?
The canonical SMILES for (3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl)-[3-(tetrazol-1-yl)-1H-pyrazol-5-yl]methanone is CC1CC2(CCN(C(=O)c3cc(-n4cnnn4)n[nH]3)CC2)CO1.
What is the InChIKey of (3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl)-[3-(tetrazol-1-yl)-1H-pyrazol-5-yl]methanone?
The InChIKey is FCQAOZDJGJSQKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N7O2/c1-10-7-14(8-23-10)2-4-20(5-3-14)13(22)11-6-12(17-16-11)21-9-15-18-19-21/h6,9-10H,2-5,7-8H2,1H3,(H,16,17).
What are the key properties of (3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl)-[3-(tetrazol-1-yl)-1H-pyrazol-5-yl]methanone?
(3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl)-[3-(tetrazol-1-yl)-1H-pyrazol-5-yl]methanone has a molecular weight of 317.35 g/mol, XLogP of 0.42, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl)-[3-(tetrazol-1-yl)-1H-pyrazol-5-yl]methanone is sourced from PubChem (CID 146043386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).