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

C8H13N3O — CID 62906574

IUPAC5-methyl-3-(oxan-4-yl)-1H-1,2,4-triazole
SMILESCc1nc(C2CCOCC2)n[nH]1
InChIInChI=1S/C8H13N3O/c1-6-9-8(11-10-6)7-2-4-12-5-3-7/h7H,2-5H2,1H3,(H,9,10,11)
InChIKeyDYLNRNUUWWHGQK-UHFFFAOYSA-N
MW167.21 g/mol
LogP1.01
Rot. Bonds1

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

5-methyl-3-(oxan-4-yl)-1H-1,2,4-triazole (PubChem CID 62906574) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is 5-methyl-3-(oxan-4-yl)-1H-1,2,4-triazole.

Molecular Properties

Compound Name5-methyl-3-(oxan-4-yl)-1H-1,2,4-triazole
PubChem CID62906574
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC Name5-methyl-3-(oxan-4-yl)-1H-1,2,4-triazole
SMILESCc1nc(C2CCOCC2)n[nH]1
InChIInChI=1S/C8H13N3O/c1-6-9-8(11-10-6)7-2-4-12-5-3-7/h7H,2-5H2,1H3,(H,9,10,11)
InChIKeyDYLNRNUUWWHGQK-UHFFFAOYSA-N
XLogP1.01
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-methyl-3-(oxan-4-yl)-1H-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

5-(oxan-4-yl)-4H-1,2,4-triazol-3-amine
CID 62907564
(5-(oxan-4-yl)-4H-1,2,4-triazol-3-yl)methanamine hydrochloride
CID 126796183
sodium 2-[5-(oxan-4-yl)-4H-1,2,4-triazol-3-yl]acetate
CID 126836891
5-[1-(methoxymethyl)cyclobutyl]-3-(tetrahydro-2H-pyran-4-yl)-1H-1,2,4-triazole
CID 74246487
3-[3-(tetrahydro-2H-pyran-4-yl)-1H-1,2,4-triazol-5-yl]propanoic acid
CID 74250590
5-[(2E)-but-2-en-1-yl]-3-(tetrahydro-2H-pyran-4-yl)-1H-1,2,4-triazole
CID 74236016
5-(Tetrahydropyran-4-yl)-1,2,4-triazole-3-carboxylic acid ethyl ester
CID 63381375
5-(Tetrahydropyran-4-yl)-1,2,4-triazole-3-carboxamide
CID 154733062
(5-(Tetrahydro-2h-pyran-4-yl)-4h-1,2,4-triazol-3-yl)methanamine
CID 65335042
2-[3-(oxan-4-yl)-1H-1,2,4-triazol-5-yl]acetic acid
CID 115027274
5-methyl-3-(2-propoxyethyl)-1H-1,2,4-triazole
CID 62717171
3-(oxan-4-yl)-1H-1,2,4-triazole
CID 91375415

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-(oxan-4-yl)-1H-1,2,4-triazole?
The IUPAC name of 5-methyl-3-(oxan-4-yl)-1H-1,2,4-triazole (CID 62906574) is 5-methyl-3-(oxan-4-yl)-1H-1,2,4-triazole.
What is the SMILES notation for 5-methyl-3-(oxan-4-yl)-1H-1,2,4-triazole?
The canonical SMILES for 5-methyl-3-(oxan-4-yl)-1H-1,2,4-triazole is Cc1nc(C2CCOCC2)n[nH]1.
What is the InChIKey of 5-methyl-3-(oxan-4-yl)-1H-1,2,4-triazole?
The InChIKey is DYLNRNUUWWHGQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O/c1-6-9-8(11-10-6)7-2-4-12-5-3-7/h7H,2-5H2,1H3,(H,9,10,11).
What are the key properties of 5-methyl-3-(oxan-4-yl)-1H-1,2,4-triazole?
5-methyl-3-(oxan-4-yl)-1H-1,2,4-triazole has a molecular weight of 167.21 g/mol, XLogP of 1.01, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-(oxan-4-yl)-1H-1,2,4-triazole is sourced from PubChem (CID 62906574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).