1-[6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]ethanone

C13H18N4O — CID 171732445

IUPAC1-[6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]ethanone
SMILESCC(=O)N1CC2(CC(n3cnc(C4CC4)n3)C2)C1
InChIInChI=1S/C13H18N4O/c1-9(18)16-6-13(7-16)4-11(5-13)17-8-14-12(15-17)10-2-3-10/h8,10-11H,2-7H2,1H3
InChIKeyJMEKWJUOHLKRKC-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.34
Rot. Bonds2

About 1-[6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]ethanone

1-[6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]ethanone (PubChem CID 171732445) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is 1-[6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]ethanone.

Molecular Properties

Compound Name1-[6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]ethanone
PubChem CID171732445
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC Name1-[6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]ethanone
SMILESCC(=O)N1CC2(CC(n3cnc(C4CC4)n3)C2)C1
InChIInChI=1S/C13H18N4O/c1-9(18)16-6-13(7-16)4-11(5-13)17-8-14-12(15-17)10-2-3-10/h8,10-11H,2-7H2,1H3
InChIKeyJMEKWJUOHLKRKC-UHFFFAOYSA-N
XLogP1.34
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]ethanone with MolForge

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

Launch Full Analysis

Related Compounds

(1-tert-butyl-1,2,4-triazol-3-yl)-[(2S)-2-cyclopropyl-3,3-dimethylazetidin-1-yl]methanone
CID 164642007
1-[2-[6-(3-Cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptane-2-carbonyl]-2,6-diazaspiro[3.3]heptan-6-yl]-2,2,2-trifluoroethanone
CID 170565649
1-[6-[3-(Trifluoromethyl)-1,2,4-triazol-1-yl]-2-azaspiro[3.3]heptan-2-yl]ethanone
CID 166084148
1-[4-(4-Cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 126750393
1-[4-(4-Cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone
CID 126758369
Tert-butyl 6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptane-2-carboxylate
CID 162745769
Tert-butyl 6-(5-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptane-2-carboxylate
CID 162746105
1-[6-[3-(1-Hydroxycyclopropyl)-1,2,4-triazol-1-yl]-2-azaspiro[3.3]heptan-2-yl]ethanone
CID 166084408
6-(3-Cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptane-2-carboxylic acid
CID 169724584
[6-(3-Cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]-piperazin-1-ylmethanone
CID 170565607
Tert-butyl 6-[6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptane-2-carbonyl]-2,6-diazaspiro[3.3]heptane-2-carboxylate
CID 170565658
Tert-butyl 6-(3-cyclobutyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptane-2-carboxylate
CID 170565672

Frequently Asked Questions

What is the IUPAC name of 1-[6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]ethanone?
The IUPAC name of 1-[6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]ethanone (CID 171732445) is 1-[6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]ethanone.
What is the SMILES notation for 1-[6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]ethanone?
The canonical SMILES for 1-[6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]ethanone is CC(=O)N1CC2(CC(n3cnc(C4CC4)n3)C2)C1.
What is the InChIKey of 1-[6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]ethanone?
The InChIKey is JMEKWJUOHLKRKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c1-9(18)16-6-13(7-16)4-11(5-13)17-8-14-12(15-17)10-2-3-10/h8,10-11H,2-7H2,1H3.
What are the key properties of 1-[6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]ethanone?
1-[6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]ethanone has a molecular weight of 246.31 g/mol, XLogP of 1.34, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]ethanone is sourced from PubChem (CID 171732445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).