3-methyl-5-[(3-methylazetidin-3-yl)oxymethyl]-4-propyl-1,2,4-triazole

C11H20N4O — CID 102659800

IUPAC3-methyl-5-[(3-methylazetidin-3-yl)oxymethyl]-4-propyl-1,2,4-triazole
SMILESCCCn1c(C)nnc1COC1(C)CNC1
InChIInChI=1S/C11H20N4O/c1-4-5-15-9(2)13-14-10(15)6-16-11(3)7-12-8-11/h12H,4-8H2,1-3H3
InChIKeyBCHJQMFUPOHPTE-UHFFFAOYSA-N
MW224.31 g/mol
LogP0.88
Rot. Bonds5

About 3-methyl-5-[(3-methylazetidin-3-yl)oxymethyl]-4-propyl-1,2,4-triazole

3-methyl-5-[(3-methylazetidin-3-yl)oxymethyl]-4-propyl-1,2,4-triazole (PubChem CID 102659800) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is 3-methyl-5-[(3-methylazetidin-3-yl)oxymethyl]-4-propyl-1,2,4-triazole.

Molecular Properties

Compound Name3-methyl-5-[(3-methylazetidin-3-yl)oxymethyl]-4-propyl-1,2,4-triazole
PubChem CID102659800
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC Name3-methyl-5-[(3-methylazetidin-3-yl)oxymethyl]-4-propyl-1,2,4-triazole
SMILESCCCn1c(C)nnc1COC1(C)CNC1
InChIInChI=1S/C11H20N4O/c1-4-5-15-9(2)13-14-10(15)6-16-11(3)7-12-8-11/h12H,4-8H2,1-3H3
InChIKeyBCHJQMFUPOHPTE-UHFFFAOYSA-N
XLogP0.88
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-5-[(3-methylazetidin-3-yl)oxymethyl]-4-phenyl-1,2,4-triazole
CID 102659805
3-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]-3-methylpiperidine
CID 107385881
4-[(5-methyl-4-propyl-1,2,4-triazol-3-yl)methyl]piperidine
CID 79605795
1-methyl-4-[(3-methylazetidin-3-yl)oxymethyl]triazole
CID 107044463
2-methyl-1-(5-methyl-4-propyl-1,2,4-triazol-3-yl)propan-2-amine
CID 64670523
(5-methyl-4-propyl-1,2,4-triazol-3-yl)methyl 4-(methoxymethyl)benzoate
CID 71906095
3-butyl-5-[(3-methylazetidin-3-yl)oxymethyl]-1,2,4-oxadiazole
CID 102655530
5-[(3-methylazetidin-3-yl)oxymethyl]-1-(2-methylpropyl)-1,2,4-triazole
CID 83067656
4-bromo-1,3-diethyl-5-[(3-methylazetidin-3-yl)oxymethyl]pyrazole
CID 83066068
2-[(5-methyl-4-propyl-1,2,4-triazol-3-yl)methyl]butan-1-amine
CID 81071076
3-chloro-5-methyl-4-propyl-1,2,4-triazole
CID 63384341
2-[1-[(5-methyl-4-propyl-1,2,4-triazol-3-yl)methyl]cyclohexyl]acetic acid
CID 61376083

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[(3-methylazetidin-3-yl)oxymethyl]-4-propyl-1,2,4-triazole?
The IUPAC name of 3-methyl-5-[(3-methylazetidin-3-yl)oxymethyl]-4-propyl-1,2,4-triazole (CID 102659800) is 3-methyl-5-[(3-methylazetidin-3-yl)oxymethyl]-4-propyl-1,2,4-triazole.
What is the SMILES notation for 3-methyl-5-[(3-methylazetidin-3-yl)oxymethyl]-4-propyl-1,2,4-triazole?
The canonical SMILES for 3-methyl-5-[(3-methylazetidin-3-yl)oxymethyl]-4-propyl-1,2,4-triazole is CCCn1c(C)nnc1COC1(C)CNC1.
What is the InChIKey of 3-methyl-5-[(3-methylazetidin-3-yl)oxymethyl]-4-propyl-1,2,4-triazole?
The InChIKey is BCHJQMFUPOHPTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-4-5-15-9(2)13-14-10(15)6-16-11(3)7-12-8-11/h12H,4-8H2,1-3H3.
What are the key properties of 3-methyl-5-[(3-methylazetidin-3-yl)oxymethyl]-4-propyl-1,2,4-triazole?
3-methyl-5-[(3-methylazetidin-3-yl)oxymethyl]-4-propyl-1,2,4-triazole has a molecular weight of 224.31 g/mol, XLogP of 0.88, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[(3-methylazetidin-3-yl)oxymethyl]-4-propyl-1,2,4-triazole is sourced from PubChem (CID 102659800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).