(1-methyltriazol-4-yl)methyl acetate

C6H9N3O2 — CID 89224817

IUPAC(1-methyltriazol-4-yl)methyl acetate
SMILESCC(=O)OCc1cn(C)nn1
InChIInChI=1S/C6H9N3O2/c1-5(10)11-4-6-3-9(2)8-7-6/h3H,4H2,1-2H3
InChIKeyHORDCJFIOPHUDO-UHFFFAOYSA-N
MW155.16 g/mol
LogP-0.12
Rot. Bonds2

About (1-methyltriazol-4-yl)methyl acetate

(1-methyltriazol-4-yl)methyl acetate (PubChem CID 89224817) has the molecular formula C6H9N3O2 and a molecular weight of 155.16 g/mol. Its IUPAC name is (1-methyltriazol-4-yl)methyl acetate.

Molecular Properties

Compound Name(1-methyltriazol-4-yl)methyl acetate
PubChem CID89224817
Molecular FormulaC6H9N3O2
Molecular Weight155.16 g/mol
Exact Mass155.07
IUPAC Name(1-methyltriazol-4-yl)methyl acetate
SMILESCC(=O)OCc1cn(C)nn1
InChIInChI=1S/C6H9N3O2/c1-5(10)11-4-6-3-9(2)8-7-6/h3H,4H2,1-2H3
InChIKeyHORDCJFIOPHUDO-UHFFFAOYSA-N
XLogP-0.12
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.16
LogP ≤ 5-0.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-[(1-methyltriazol-4-yl)methoxy]propanoic acid
CID 107040987
ethyl 5-[4-(acetyloxymethyl)triazol-1-yl]pentanoate
CID 71503779
(1-methyltriazol-4-yl)methyl 4-amino-1-ethylpyrrole-2-carboxylate
CID 107052153
(1-methyltriazol-4-yl)methyl 2-(4-aminophenoxy)acetate
CID 107052085
S-methyl 2-[(1-methyltriazol-4-yl)methoxy]ethanethioate
CID 156527890
2-(1-methyltriazol-4-yl)acetic acid
CID 58281215
(1-methyltriazol-4-yl)methyl 5-amino-2-chlorobenzoate
CID 107052105
[1-(4-methoxyphenyl)triazol-4-yl]methyl acetate
CID 11413946
2-[2-[2-[2-[2-[(1-methyltriazol-4-yl)methoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetic acid
CID 176816953
(1-methyltriazol-4-yl)methyl 4-amino-1-cyclopropylpyrrole-2-carboxylate
CID 107052158
(1-methyltriazol-4-yl)methyl 2-(2-aminophenoxy)acetate
CID 107052089
3-methyl-1-(1-methyltriazol-4-yl)but-3-en-2-one
CID 107047590

Frequently Asked Questions

What is the IUPAC name of (1-methyltriazol-4-yl)methyl acetate?
The IUPAC name of (1-methyltriazol-4-yl)methyl acetate (CID 89224817) is (1-methyltriazol-4-yl)methyl acetate.
What is the SMILES notation for (1-methyltriazol-4-yl)methyl acetate?
The canonical SMILES for (1-methyltriazol-4-yl)methyl acetate is CC(=O)OCc1cn(C)nn1.
What is the InChIKey of (1-methyltriazol-4-yl)methyl acetate?
The InChIKey is HORDCJFIOPHUDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O2/c1-5(10)11-4-6-3-9(2)8-7-6/h3H,4H2,1-2H3.
What are the key properties of (1-methyltriazol-4-yl)methyl acetate?
(1-methyltriazol-4-yl)methyl acetate has a molecular weight of 155.16 g/mol, XLogP of -0.12, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methyltriazol-4-yl)methyl acetate is sourced from PubChem (CID 89224817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).