3-(dimethoxymethyl)-1,5-dimethyl-1,2,4-triazole

C7H13N3O2 — CID 162786607

IUPAC3-(dimethoxymethyl)-1,5-dimethyl-1,2,4-triazole
SMILESCOC(OC)c1nc(C)n(C)n1
InChIInChI=1S/C7H13N3O2/c1-5-8-6(9-10(5)2)7(11-3)12-4/h7H,1-4H3
InChIKeyNREATKGYDDRXRR-UHFFFAOYSA-N
MW171.20 g/mol
LogP0.41
Rot. Bonds3

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

3-(dimethoxymethyl)-1,5-dimethyl-1,2,4-triazole (PubChem CID 162786607) has the molecular formula C7H13N3O2 and a molecular weight of 171.20 g/mol. Its IUPAC name is 3-(dimethoxymethyl)-1,5-dimethyl-1,2,4-triazole.

Molecular Properties

Compound Name3-(dimethoxymethyl)-1,5-dimethyl-1,2,4-triazole
PubChem CID162786607
Molecular FormulaC7H13N3O2
Molecular Weight171.20 g/mol
Exact Mass171.10
IUPAC Name3-(dimethoxymethyl)-1,5-dimethyl-1,2,4-triazole
SMILESCOC(OC)c1nc(C)n(C)n1
InChIInChI=1S/C7H13N3O2/c1-5-8-6(9-10(5)2)7(11-3)12-4/h7H,1-4H3
InChIKeyNREATKGYDDRXRR-UHFFFAOYSA-N
XLogP0.41
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 50.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

3-butan-2-yl-1,5-dimethyl-1,2,4-triazole;ethane
CID 177331117
(R)-(3,4-dimethoxyphenyl)-(1,5-dimethyl-1,2,4-triazol-3-yl)methanamine
CID 97287702
(S)-(3,4-dimethoxyphenyl)-(1,5-dimethyl-1,2,4-triazol-3-yl)methanamine
CID 97287703
(S)-(1,5-dimethyl-1,2,4-triazol-3-yl)-(3-ethoxy-4-methoxyphenyl)methanamine
CID 97288258
2-(1,5-dimethyl-1,2,4-triazol-3-yl)-N-methylethanamine
CID 82467866
4-(4-methoxyphenyl)-2,5-dimethyl-1,2,4-triazol-3-one
CID 3682674
(2S)-N-(1,5-dimethyl-1,2,4-triazol-3-yl)-2-methoxy-2-phenylpropanamide
CID 124882382
(5-ethyl-1,2,4-oxadiazol-3-yl)-(5-methoxy-1,3-dimethylpyrazol-4-yl)methanamine
CID 113463486
2-(1,5-dimethyl-1,2,4-triazol-3-yl)-5-methoxyaniline
CID 82472159
3-(5-bromo-2-methoxyphenyl)-1,5-dimethyl-1,2,4-triazole
CID 82489434
3-(azetidin-3-yl)-1,5-dimethyl-1,2,4-triazole
CID 84649668
1,2,4-trimethylimidazole;bis(1,3,5-trimethyl-1,2,4-triazole)
CID 158999651

Frequently Asked Questions

What is the IUPAC name of 3-(dimethoxymethyl)-1,5-dimethyl-1,2,4-triazole?
The IUPAC name of 3-(dimethoxymethyl)-1,5-dimethyl-1,2,4-triazole (CID 162786607) is 3-(dimethoxymethyl)-1,5-dimethyl-1,2,4-triazole.
What is the SMILES notation for 3-(dimethoxymethyl)-1,5-dimethyl-1,2,4-triazole?
The canonical SMILES for 3-(dimethoxymethyl)-1,5-dimethyl-1,2,4-triazole is COC(OC)c1nc(C)n(C)n1.
What is the InChIKey of 3-(dimethoxymethyl)-1,5-dimethyl-1,2,4-triazole?
The InChIKey is NREATKGYDDRXRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O2/c1-5-8-6(9-10(5)2)7(11-3)12-4/h7H,1-4H3.
What are the key properties of 3-(dimethoxymethyl)-1,5-dimethyl-1,2,4-triazole?
3-(dimethoxymethyl)-1,5-dimethyl-1,2,4-triazole has a molecular weight of 171.20 g/mol, XLogP of 0.41, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethoxymethyl)-1,5-dimethyl-1,2,4-triazole is sourced from PubChem (CID 162786607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).