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

C6H11N3O — CID 58259870

IUPAC3-(methoxymethyl)-4,5-dimethyl-1,2,4-triazole
SMILESCOCc1nnc(C)n1C
InChIInChI=1S/C6H11N3O/c1-5-7-8-6(4-10-3)9(5)2/h4H2,1-3H3
InChIKeyPJLBVOXCHZBIEI-UHFFFAOYSA-N
MW141.17 g/mol
LogP0.27
Rot. Bonds2

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

3-(methoxymethyl)-4,5-dimethyl-1,2,4-triazole (PubChem CID 58259870) has the molecular formula C6H11N3O and a molecular weight of 141.17 g/mol. Its IUPAC name is 3-(methoxymethyl)-4,5-dimethyl-1,2,4-triazole.

Molecular Properties

Compound Name3-(methoxymethyl)-4,5-dimethyl-1,2,4-triazole
PubChem CID58259870
Molecular FormulaC6H11N3O
Molecular Weight141.17 g/mol
Exact Mass141.09
IUPAC Name3-(methoxymethyl)-4,5-dimethyl-1,2,4-triazole
SMILESCOCc1nnc(C)n1C
InChIInChI=1S/C6H11N3O/c1-5-7-8-6(4-10-3)9(5)2/h4H2,1-3H3
InChIKeyPJLBVOXCHZBIEI-UHFFFAOYSA-N
XLogP0.27
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 50.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-3-(methoxymethyl)aniline
CID 54965119
4-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]benzonitrile
CID 43524599
2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl-(2-methoxyethyl)amino]ethanol
CID 115613823
[4-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]-3,5-dimethylphenyl]methanamine
CID 43524988
3,5-dibromo-4-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]aniline
CID 43524973
2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]-5-methoxyaniline
CID 43524963
3,4-dimethyl-5-pentyl-1,2,4-triazole
CID 91086402
N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-4-(2-methoxyethoxy)butan-1-amine
CID 113463774
3-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]-2,4-dimethylaniline
CID 62019074
1-cyclopropyl-N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]methanamine
CID 43524641
methyl 2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methylamino]propanoate
CID 61499698
(1S)-1-[4-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]phenyl]propan-1-amine
CID 63367781

Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethyl)-4,5-dimethyl-1,2,4-triazole?
The IUPAC name of 3-(methoxymethyl)-4,5-dimethyl-1,2,4-triazole (CID 58259870) is 3-(methoxymethyl)-4,5-dimethyl-1,2,4-triazole.
What is the SMILES notation for 3-(methoxymethyl)-4,5-dimethyl-1,2,4-triazole?
The canonical SMILES for 3-(methoxymethyl)-4,5-dimethyl-1,2,4-triazole is COCc1nnc(C)n1C.
What is the InChIKey of 3-(methoxymethyl)-4,5-dimethyl-1,2,4-triazole?
The InChIKey is PJLBVOXCHZBIEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3O/c1-5-7-8-6(4-10-3)9(5)2/h4H2,1-3H3.
What are the key properties of 3-(methoxymethyl)-4,5-dimethyl-1,2,4-triazole?
3-(methoxymethyl)-4,5-dimethyl-1,2,4-triazole has a molecular weight of 141.17 g/mol, XLogP of 0.27, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethyl)-4,5-dimethyl-1,2,4-triazole is sourced from PubChem (CID 58259870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).