3-(methoxymethyl)-4,5-dimethyl-1,5-dihydro-1,2,4-triazole

C6H13N3O — CID 174253990

IUPAC3-(methoxymethyl)-4,5-dimethyl-1,5-dihydro-1,2,4-triazole
SMILESCOCC1=NNC(C)N1C
InChIInChI=1S/C6H13N3O/c1-5-7-8-6(4-10-3)9(5)2/h5,7H,4H2,1-3H3
InChIKeyOVCLWVZXUMWCHN-UHFFFAOYSA-N
MW143.19 g/mol
LogP-0.17
Rot. Bonds2

About 3-(methoxymethyl)-4,5-dimethyl-1,5-dihydro-1,2,4-triazole

3-(methoxymethyl)-4,5-dimethyl-1,5-dihydro-1,2,4-triazole (PubChem CID 174253990) has the molecular formula C6H13N3O and a molecular weight of 143.19 g/mol. Its IUPAC name is 3-(methoxymethyl)-4,5-dimethyl-1,5-dihydro-1,2,4-triazole.

Molecular Properties

Compound Name3-(methoxymethyl)-4,5-dimethyl-1,5-dihydro-1,2,4-triazole
PubChem CID174253990
Molecular FormulaC6H13N3O
Molecular Weight143.19 g/mol
Exact Mass143.11
IUPAC Name3-(methoxymethyl)-4,5-dimethyl-1,5-dihydro-1,2,4-triazole
SMILESCOCC1=NNC(C)N1C
InChIInChI=1S/C6H13N3O/c1-5-7-8-6(4-10-3)9(5)2/h5,7H,4H2,1-3H3
InChIKeyOVCLWVZXUMWCHN-UHFFFAOYSA-N
XLogP-0.17
TPSA36.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 5-0.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(methoxymethyl)-4,5-dimethyl-1,5-dihydro-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

4-ethyl-5-(methoxymethyl)-4H-1,2,4-triazole-3-thiol
CID 3281955
(4-Ethyl-1,5-dihydro-1,2,4-triazol-3-yl)methanol
CID 91096425
3-(Ethoxymethyl)-4-ethyl-1,5-dihydro-1,2,4-triazole
CID 91384638
4-Ethyl-3-(methoxymethyl)-1,5-dihydro-1,2,4-triazole
CID 141238952
3-(Ethoxymethyl)-4-ethyl-1,5-dihydro-1,2,4-triazole-5-carbothialdehyde
CID 174505927
4-Ethyl-3-(methoxymethyl)-1,5-dihydro-1,2,4-triazole-5-carbothialdehyde
CID 174506018

Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethyl)-4,5-dimethyl-1,5-dihydro-1,2,4-triazole?
The IUPAC name of 3-(methoxymethyl)-4,5-dimethyl-1,5-dihydro-1,2,4-triazole (CID 174253990) is 3-(methoxymethyl)-4,5-dimethyl-1,5-dihydro-1,2,4-triazole.
What is the SMILES notation for 3-(methoxymethyl)-4,5-dimethyl-1,5-dihydro-1,2,4-triazole?
The canonical SMILES for 3-(methoxymethyl)-4,5-dimethyl-1,5-dihydro-1,2,4-triazole is COCC1=NNC(C)N1C.
What is the InChIKey of 3-(methoxymethyl)-4,5-dimethyl-1,5-dihydro-1,2,4-triazole?
The InChIKey is OVCLWVZXUMWCHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N3O/c1-5-7-8-6(4-10-3)9(5)2/h5,7H,4H2,1-3H3.
What are the key properties of 3-(methoxymethyl)-4,5-dimethyl-1,5-dihydro-1,2,4-triazole?
3-(methoxymethyl)-4,5-dimethyl-1,5-dihydro-1,2,4-triazole has a molecular weight of 143.19 g/mol, XLogP of -0.17, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethyl)-4,5-dimethyl-1,5-dihydro-1,2,4-triazole is sourced from PubChem (CID 174253990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).