4-(methoxymethyl)-3-methyl-1,2-dihydrotriazole

C5H11N3O — CID 174268153

IUPAC4-(methoxymethyl)-3-methyl-1,2-dihydrotriazole
SMILESCOCC1=CNNN1C
InChIInChI=1S/C5H11N3O/c1-8-5(4-9-2)3-6-7-8/h3,6-7H,4H2,1-2H3
InChIKeyYMGZTEHPZLPMPB-UHFFFAOYSA-N
MW129.16 g/mol
LogP-0.57
Rot. Bonds2

About 4-(methoxymethyl)-3-methyl-1,2-dihydrotriazole

4-(methoxymethyl)-3-methyl-1,2-dihydrotriazole (PubChem CID 174268153) has the molecular formula C5H11N3O and a molecular weight of 129.16 g/mol. Its IUPAC name is 4-(methoxymethyl)-3-methyl-1,2-dihydrotriazole.

Molecular Properties

Compound Name4-(methoxymethyl)-3-methyl-1,2-dihydrotriazole
PubChem CID174268153
Molecular FormulaC5H11N3O
Molecular Weight129.16 g/mol
Exact Mass129.09
IUPAC Name4-(methoxymethyl)-3-methyl-1,2-dihydrotriazole
SMILESCOCC1=CNNN1C
InChIInChI=1S/C5H11N3O/c1-8-5(4-9-2)3-6-7-8/h3,6-7H,4H2,1-2H3
InChIKeyYMGZTEHPZLPMPB-UHFFFAOYSA-N
XLogP-0.57
TPSA36.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.16
LogP ≤ 5-0.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethyl)-3-methyl-1,2-dihydrotriazole?
The IUPAC name of 4-(methoxymethyl)-3-methyl-1,2-dihydrotriazole (CID 174268153) is 4-(methoxymethyl)-3-methyl-1,2-dihydrotriazole.
What is the SMILES notation for 4-(methoxymethyl)-3-methyl-1,2-dihydrotriazole?
The canonical SMILES for 4-(methoxymethyl)-3-methyl-1,2-dihydrotriazole is COCC1=CNNN1C.
What is the InChIKey of 4-(methoxymethyl)-3-methyl-1,2-dihydrotriazole?
The InChIKey is YMGZTEHPZLPMPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N3O/c1-8-5(4-9-2)3-6-7-8/h3,6-7H,4H2,1-2H3.
What are the key properties of 4-(methoxymethyl)-3-methyl-1,2-dihydrotriazole?
4-(methoxymethyl)-3-methyl-1,2-dihydrotriazole has a molecular weight of 129.16 g/mol, XLogP of -0.57, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethyl)-3-methyl-1,2-dihydrotriazole is sourced from PubChem (CID 174268153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).