3-(2-cyclohexylethyl)-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine

C13H21N3O — CID 136551584

IUPAC3-(2-cyclohexylethyl)-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine
SMILESC1CCC(CCc2nnc3n2CCOC3)CC1
InChIInChI=1S/C13H21N3O/c1-2-4-11(5-3-1)6-7-12-14-15-13-10-17-9-8-16(12)13/h11H,1-10H2
InChIKeyNFTGHZPYFDNMRH-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.32
Rot. Bonds3

About 3-(2-cyclohexylethyl)-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine

3-(2-cyclohexylethyl)-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine (PubChem CID 136551584) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 3-(2-cyclohexylethyl)-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine.

Molecular Properties

Compound Name3-(2-cyclohexylethyl)-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine
PubChem CID136551584
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name3-(2-cyclohexylethyl)-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine
SMILESC1CCC(CCc2nnc3n2CCOC3)CC1
InChIInChI=1S/C13H21N3O/c1-2-4-11(5-3-1)6-7-12-14-15-13-10-17-9-8-16(12)13/h11H,1-10H2
InChIKeyNFTGHZPYFDNMRH-UHFFFAOYSA-N
XLogP2.32
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-(2-cyclohexylethyl)-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine 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

3-(ethoxymethyl)-6,6-dimethyl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine
CID 136559766
cis-(1S,2R)-N-(6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazin-3-ylmethyl)-N-methyl-2-(trifluoromethyl)cyclohexan-1-amine
CID 137853876
3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine
CID 58784021
3-(2-methylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine
CID 136551567
4-(5-Cyclohexyl-4-methyl-1,2,4-triazol-3-yl)morpholine
CID 140111462
3-Chloro-5-cyclohexyl-4-(2-methoxyethyl)-1,2,4-triazole
CID 140111502
cis-(1R,3S)-3-(6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazin-3-yl)cyclohexan-1-amine
CID 178612881
3,6-di(propan-2-yl)-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine
CID 179015194
4-{[1-(cyclohexylmethyl)-5-(1-methoxyethyl)-1H-1,2,4-triazol-3-yl]methyl}-1-methylpiperidine
CID 72881107
2-[(7-Methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methoxy]ethanamine
CID 81252448
[4-(2-Methoxyethyl)-5-(4-methylcyclohexyl)-1,2,4-triazol-3-yl]methanol
CID 81879632
3-(piperidin-4-ylmethyl)-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine
CID 84055690

Frequently Asked Questions

What is the IUPAC name of 3-(2-cyclohexylethyl)-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine?
The IUPAC name of 3-(2-cyclohexylethyl)-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine (CID 136551584) is 3-(2-cyclohexylethyl)-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine.
What is the SMILES notation for 3-(2-cyclohexylethyl)-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine?
The canonical SMILES for 3-(2-cyclohexylethyl)-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine is C1CCC(CCc2nnc3n2CCOC3)CC1.
What is the InChIKey of 3-(2-cyclohexylethyl)-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine?
The InChIKey is NFTGHZPYFDNMRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-2-4-11(5-3-1)6-7-12-14-15-13-10-17-9-8-16(12)13/h11H,1-10H2.
What are the key properties of 3-(2-cyclohexylethyl)-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine?
3-(2-cyclohexylethyl)-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine has a molecular weight of 235.33 g/mol, XLogP of 2.32, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-cyclohexylethyl)-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine is sourced from PubChem (CID 136551584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).