1,3-dimethyl-5-(oxan-4-yl)-1,2,4-triazole

C9H15N3O — CID 146512062

IUPAC1,3-dimethyl-5-(oxan-4-yl)-1,2,4-triazole
SMILESCc1nc(C2CCOCC2)n(C)n1
InChIInChI=1S/C9H15N3O/c1-7-10-9(12(2)11-7)8-3-5-13-6-4-8/h8H,3-6H2,1-2H3
InChIKeyDQLISDGIUGZSGN-UHFFFAOYSA-N
MW181.24 g/mol
LogP1.02
Rot. Bonds1

About 1,3-dimethyl-5-(oxan-4-yl)-1,2,4-triazole

1,3-dimethyl-5-(oxan-4-yl)-1,2,4-triazole (PubChem CID 146512062) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 1,3-dimethyl-5-(oxan-4-yl)-1,2,4-triazole.

Molecular Properties

Compound Name1,3-dimethyl-5-(oxan-4-yl)-1,2,4-triazole
PubChem CID146512062
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name1,3-dimethyl-5-(oxan-4-yl)-1,2,4-triazole
SMILESCc1nc(C2CCOCC2)n(C)n1
InChIInChI=1S/C9H15N3O/c1-7-10-9(12(2)11-7)8-3-5-13-6-4-8/h8H,3-6H2,1-2H3
InChIKeyDQLISDGIUGZSGN-UHFFFAOYSA-N
XLogP1.02
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1,3-dimethyl-5-(oxan-4-yl)-1,2,4-triazole 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-methyl-3-(oxan-4-yl)-1H-1,2,4-triazol-5-amine
CID 84110719
5-[(4S)-2,2-dimethyloxan-4-yl]-3-methyl-1-(2,2,2-trifluoroethyl)-1,2,4-triazole
CID 164631991
5-[(methylthio)methyl]-3-(tetrahydro-2H-pyran-4-yl)-1-(2,2,2-trifluoroethyl)-1H-1,2,4-triazole
CID 72853709
5-(2,2-dimethyltetrahydro-2H-pyran-4-yl)-3-methyl-1-(2,2,2-trifluoroethyl)-1H-1,2,4-triazole
CID 131932754
5-(tetrahydro-2H-pyran-3-ylmethyl)-1-(2,2,2-trifluoroethyl)-1H-1,2,4-triazole
CID 131945334
3-Tert-butyl-5-(oxan-4-yl)-4-propan-2-yl-1,2,4-triazole
CID 59485489
[2-(Oxan-4-ylmethyl)-1,2,4-triazol-3-yl]methanamine
CID 65648870
5-(Oxan-4-yl)-1-propan-2-yl-1,2,4-triazole
CID 67734820
1-Methyl-5-(oxan-4-yl)-1,2,4-triazole
CID 67746869
4-Methyl-3-(oxan-4-yl)-1,2,4-triazole
CID 115395424
4-Methyl-3-methylsulfanyl-5-(oxan-4-yl)-1,2,4-triazole
CID 121304422
1-Methyl-5-(oxan-4-ylmethyl)-1,2,4-triazole
CID 141181282

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-(oxan-4-yl)-1,2,4-triazole?
The IUPAC name of 1,3-dimethyl-5-(oxan-4-yl)-1,2,4-triazole (CID 146512062) is 1,3-dimethyl-5-(oxan-4-yl)-1,2,4-triazole.
What is the SMILES notation for 1,3-dimethyl-5-(oxan-4-yl)-1,2,4-triazole?
The canonical SMILES for 1,3-dimethyl-5-(oxan-4-yl)-1,2,4-triazole is Cc1nc(C2CCOCC2)n(C)n1.
What is the InChIKey of 1,3-dimethyl-5-(oxan-4-yl)-1,2,4-triazole?
The InChIKey is DQLISDGIUGZSGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-7-10-9(12(2)11-7)8-3-5-13-6-4-8/h8H,3-6H2,1-2H3.
What are the key properties of 1,3-dimethyl-5-(oxan-4-yl)-1,2,4-triazole?
1,3-dimethyl-5-(oxan-4-yl)-1,2,4-triazole has a molecular weight of 181.24 g/mol, XLogP of 1.02, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-(oxan-4-yl)-1,2,4-triazole is sourced from PubChem (CID 146512062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).