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

C9H15N3O — CID 136551567

IUPAC3-(2-methylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine
SMILESCC(C)Cc1nnc2n1CCOC2
InChIInChI=1S/C9H15N3O/c1-7(2)5-8-10-11-9-6-13-4-3-12(8)9/h7H,3-6H2,1-2H3
InChIKeyCTFQGIYDBVEVQJ-UHFFFAOYSA-N
MW181.24 g/mol
LogP1.01
Rot. Bonds2

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

3-(2-methylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine (PubChem CID 136551567) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 3-(2-methylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine.

Molecular Properties

Compound Name3-(2-methylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine
PubChem CID136551567
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name3-(2-methylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine
SMILESCC(C)Cc1nnc2n1CCOC2
InChIInChI=1S/C9H15N3O/c1-7(2)5-8-10-11-9-6-13-4-3-12(8)9/h7H,3-6H2,1-2H3
InChIKeyCTFQGIYDBVEVQJ-UHFFFAOYSA-N
XLogP1.01
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-(2-methylpropyl)-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

7-(2-ethoxyethyl)-3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
CID 71878548
3-iodo-5H,6H,8H-[1,2,4]triazolo[3,4-c][1,4]oxazine
CID 165441840
3-(2-cyclohexylethyl)-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine
CID 136551584
3-(ethoxymethyl)-6,6-dimethyl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine
CID 136559766
3-[(1S)-1-(2-methoxyethoxy)ethyl]-6,6-dimethyl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine
CID 164631363
N,N-dimethyl-1-[4-methyl-5-[(2R)-2-propan-2-ylmorpholin-4-yl]-1,2,4-triazol-3-yl]methanamine
CID 164636521
[3-(2-Methoxypropan-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanamine
CID 103028646
2-[[6-(Trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methoxy]ethanamine
CID 81251122
[3-(2,2,2-Trifluoroethoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanamine
CID 113789609
4-[4-Ethyl-5-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]-2-propan-2-ylmorpholine
CID 136549285
4-[4-Methyl-5-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]-2-propan-2-ylmorpholine
CID 138001822
4-[4-(2-Methylpropyl)-5-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]-2-propan-2-ylmorpholine
CID 138001899

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine?
The IUPAC name of 3-(2-methylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine (CID 136551567) is 3-(2-methylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine.
What is the SMILES notation for 3-(2-methylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine?
The canonical SMILES for 3-(2-methylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine is CC(C)Cc1nnc2n1CCOC2.
What is the InChIKey of 3-(2-methylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine?
The InChIKey is CTFQGIYDBVEVQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-7(2)5-8-10-11-9-6-13-4-3-12(8)9/h7H,3-6H2,1-2H3.
What are the key properties of 3-(2-methylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine?
3-(2-methylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine has a molecular weight of 181.24 g/mol, XLogP of 1.01, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine is sourced from PubChem (CID 136551567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).