4-(methoxymethyl)-1-methyltriazole

C5H9N3O — CID 59518209

IUPAC4-(methoxymethyl)-1-methyltriazole
SMILESCOCc1cn(C)nn1
InChIInChI=1S/C5H9N3O/c1-8-3-5(4-9-2)6-7-8/h3H,4H2,1-2H3
InChIKeyJYLLJPOBMIFJED-UHFFFAOYSA-N
MW127.15 g/mol
LogP-0.04
Rot. Bonds2

About 4-(methoxymethyl)-1-methyltriazole

4-(methoxymethyl)-1-methyltriazole (PubChem CID 59518209) has the molecular formula C5H9N3O and a molecular weight of 127.15 g/mol. Its IUPAC name is 4-(methoxymethyl)-1-methyltriazole.

Molecular Properties

Compound Name4-(methoxymethyl)-1-methyltriazole
PubChem CID59518209
Molecular FormulaC5H9N3O
Molecular Weight127.15 g/mol
Exact Mass127.07
IUPAC Name4-(methoxymethyl)-1-methyltriazole
SMILESCOCc1cn(C)nn1
InChIInChI=1S/C5H9N3O/c1-8-3-5(4-9-2)6-7-8/h3H,4H2,1-2H3
InChIKeyJYLLJPOBMIFJED-UHFFFAOYSA-N
XLogP-0.04
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.15
LogP ≤ 5-0.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-(hydroxymethyl)-1H-1,2,3-triazol-1-yl)propan-1-ol
CID 62401663
1-Methyl-1H-1,2,3-triazole-4-methanol
CID 12654349
(1-ethyl-1H-1,2,3-triazol-4-yl)methanol
CID 12654351
5-(methoxymethyl)-1-methyl-1H-1,2,3-triazole
CID 58602891
(1-(propan-2-yl)-1H-1,2,3-triazol-4-yl)methanol
CID 62402024
(1-methyl-1H-1,2,3-triazol-4-yl)methanol hydrochloride
CID 67486163
4-(Methoxymethyl)-1H-1,2,3-triazole-1-acetic acid
CID 118274523
4-(4,5-dihydrooxazol-2-yl)-1-hexyl-1H-1,2,3-triazole
CID 44445272
4-(4,5-dihydrooxazol-2-yl)-1-heptyl-1H-1,2,3-triazole
CID 44445273
4-(Diethoxymethyl)-1-prop-2-enyltriazole
CID 44454609
1-Butyl-1H-1,2,3-triazole-4-methanol
CID 12654353
4-(Ethoxymethyl)-1-ethyltriazole
CID 13230240

Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethyl)-1-methyltriazole?
The IUPAC name of 4-(methoxymethyl)-1-methyltriazole (CID 59518209) is 4-(methoxymethyl)-1-methyltriazole.
What is the SMILES notation for 4-(methoxymethyl)-1-methyltriazole?
The canonical SMILES for 4-(methoxymethyl)-1-methyltriazole is COCc1cn(C)nn1.
What is the InChIKey of 4-(methoxymethyl)-1-methyltriazole?
The InChIKey is JYLLJPOBMIFJED-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3O/c1-8-3-5(4-9-2)6-7-8/h3H,4H2,1-2H3.
What are the key properties of 4-(methoxymethyl)-1-methyltriazole?
4-(methoxymethyl)-1-methyltriazole has a molecular weight of 127.15 g/mol, XLogP of -0.04, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethyl)-1-methyltriazole is sourced from PubChem (CID 59518209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).