1-methyl-5-(oxan-4-yloxymethyl)-1,2,4-triazole

C9H15N3O2 — CID 155980213

IUPAC1-methyl-5-(oxan-4-yloxymethyl)-1,2,4-triazole
SMILESCn1ncnc1COC1CCOCC1
InChIInChI=1S/C9H15N3O2/c1-12-9(10-7-11-12)6-14-8-2-4-13-5-3-8/h7-8H,2-6H2,1H3
InChIKeyUZBWWFGDOQHCEK-UHFFFAOYSA-N
MW197.24 g/mol
LogP0.51
Rot. Bonds3

About 1-methyl-5-(oxan-4-yloxymethyl)-1,2,4-triazole

1-methyl-5-(oxan-4-yloxymethyl)-1,2,4-triazole (PubChem CID 155980213) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is 1-methyl-5-(oxan-4-yloxymethyl)-1,2,4-triazole.

Molecular Properties

Compound Name1-methyl-5-(oxan-4-yloxymethyl)-1,2,4-triazole
PubChem CID155980213
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Name1-methyl-5-(oxan-4-yloxymethyl)-1,2,4-triazole
SMILESCn1ncnc1COC1CCOCC1
InChIInChI=1S/C9H15N3O2/c1-12-9(10-7-11-12)6-14-8-2-4-13-5-3-8/h7-8H,2-6H2,1H3
InChIKeyUZBWWFGDOQHCEK-UHFFFAOYSA-N
XLogP0.51
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 50.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-(cyclopentyloxymethyl)-1-methyl-1,2,4-triazole
CID 155941749
N-methyl-3-[(2-methyl-1,2,4-triazol-3-yl)methyl]oxan-4-amine
CID 106469090
N-ethyl-5-(oxan-4-yloxymethyl)-1,3-thiazol-2-amine
CID 79774031
5-[[4-(bromomethyl)oxan-4-yl]methyl]-1-methyl-1,2,4-triazole
CID 66049521
5-methyl-1-(oxan-4-yloxymethyl)pyrazole
CID 130564425
4-phenylmethoxyoxane
CID 66554133
2-[(2-methyl-1,2,4-triazol-3-yl)methyl]cyclobutan-1-amine
CID 81014034
N-ethyl-5-(oxan-4-yloxymethyl)pyridin-2-amine
CID 62189770
1-(2-methyloxolan-3-yl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine
CID 104997936
3-[(2-propyl-1,2,4-triazol-3-yl)methoxy]cyclohexan-1-amine
CID 79465508
N'-cyclobutyl-N'-[(2-methyl-1,2,4-triazol-3-yl)methyl]ethane-1,2-diamine
CID 102875207
4-N-methyl-4-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]cyclohexane-1,4-diamine
CID 79120933

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-(oxan-4-yloxymethyl)-1,2,4-triazole?
The IUPAC name of 1-methyl-5-(oxan-4-yloxymethyl)-1,2,4-triazole (CID 155980213) is 1-methyl-5-(oxan-4-yloxymethyl)-1,2,4-triazole.
What is the SMILES notation for 1-methyl-5-(oxan-4-yloxymethyl)-1,2,4-triazole?
The canonical SMILES for 1-methyl-5-(oxan-4-yloxymethyl)-1,2,4-triazole is Cn1ncnc1COC1CCOCC1.
What is the InChIKey of 1-methyl-5-(oxan-4-yloxymethyl)-1,2,4-triazole?
The InChIKey is UZBWWFGDOQHCEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-12-9(10-7-11-12)6-14-8-2-4-13-5-3-8/h7-8H,2-6H2,1H3.
What are the key properties of 1-methyl-5-(oxan-4-yloxymethyl)-1,2,4-triazole?
1-methyl-5-(oxan-4-yloxymethyl)-1,2,4-triazole has a molecular weight of 197.24 g/mol, XLogP of 0.51, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-(oxan-4-yloxymethyl)-1,2,4-triazole is sourced from PubChem (CID 155980213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).