1-methyl-4-[[3-(2-methylpropyl)azetidin-3-yl]methyl]triazole

C11H20N4 — CID 107058600

IUPAC1-methyl-4-[[3-(2-methylpropyl)azetidin-3-yl]methyl]triazole
SMILESCC(C)CC1(Cc2cn(C)nn2)CNC1
InChIInChI=1S/C11H20N4/c1-9(2)4-11(7-12-8-11)5-10-6-15(3)14-13-10/h6,9,12H,4-5,7-8H2,1-3H3
InChIKeyPTPQTBOZLGZIKT-UHFFFAOYSA-N
MW208.31 g/mol
LogP0.99
Rot. Bonds4

About 1-methyl-4-[[3-(2-methylpropyl)azetidin-3-yl]methyl]triazole

1-methyl-4-[[3-(2-methylpropyl)azetidin-3-yl]methyl]triazole (PubChem CID 107058600) has the molecular formula C11H20N4 and a molecular weight of 208.31 g/mol. Its IUPAC name is 1-methyl-4-[[3-(2-methylpropyl)azetidin-3-yl]methyl]triazole.

Molecular Properties

Compound Name1-methyl-4-[[3-(2-methylpropyl)azetidin-3-yl]methyl]triazole
PubChem CID107058600
Molecular FormulaC11H20N4
Molecular Weight208.31 g/mol
Exact Mass208.17
IUPAC Name1-methyl-4-[[3-(2-methylpropyl)azetidin-3-yl]methyl]triazole
SMILESCC(C)CC1(Cc2cn(C)nn2)CNC1
InChIInChI=1S/C11H20N4/c1-9(2)4-11(7-12-8-11)5-10-6-15(3)14-13-10/h6,9,12H,4-5,7-8H2,1-3H3
InChIKeyPTPQTBOZLGZIKT-UHFFFAOYSA-N
XLogP0.99
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-[[1-[(1-methyltriazol-4-yl)methyl]cyclobutyl]methyl]propan-1-amine
CID 107053273
[1-[(1-methyltriazol-4-yl)methyl]-4-propan-2-ylcyclohexyl]methanamine
CID 107057422
1-methyl-5-[[3-(2-methylpropyl)azetidin-3-yl]methyl]-1,2,4-triazole
CID 79452651
[1-[(1-methyltriazol-4-yl)methyl]cyclooctyl]methanamine
CID 107057461
1-methyl-4-[(3-methylazetidin-3-yl)oxymethyl]triazole
CID 107044463
N-methyl-1-[1-[(1-methyltriazol-4-yl)methyl]cyclobutyl]methanamine
CID 107053262
3-(2-methylpropyl)-3-[(2,4,6-trimethylphenyl)methyl]azetidine
CID 79452141
1-[(1-methyltriazol-4-yl)methyl]cycloheptan-1-ol
CID 107045687
1-[(1-methyltriazol-4-yl)methyl]cyclohexan-1-ol
CID 107045659
4-[(1-methyltriazol-4-yl)methyl]oxan-4-ol
CID 107045763
2,3-dimethyl-1-[(1-methyltriazol-4-yl)methyl]cyclobutan-1-ol
CID 130674404
2-methyl-4-(1-methyltriazol-4-yl)butan-1-amine
CID 107054917

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[[3-(2-methylpropyl)azetidin-3-yl]methyl]triazole?
The IUPAC name of 1-methyl-4-[[3-(2-methylpropyl)azetidin-3-yl]methyl]triazole (CID 107058600) is 1-methyl-4-[[3-(2-methylpropyl)azetidin-3-yl]methyl]triazole.
What is the SMILES notation for 1-methyl-4-[[3-(2-methylpropyl)azetidin-3-yl]methyl]triazole?
The canonical SMILES for 1-methyl-4-[[3-(2-methylpropyl)azetidin-3-yl]methyl]triazole is CC(C)CC1(Cc2cn(C)nn2)CNC1.
What is the InChIKey of 1-methyl-4-[[3-(2-methylpropyl)azetidin-3-yl]methyl]triazole?
The InChIKey is PTPQTBOZLGZIKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4/c1-9(2)4-11(7-12-8-11)5-10-6-15(3)14-13-10/h6,9,12H,4-5,7-8H2,1-3H3.
What are the key properties of 1-methyl-4-[[3-(2-methylpropyl)azetidin-3-yl]methyl]triazole?
1-methyl-4-[[3-(2-methylpropyl)azetidin-3-yl]methyl]triazole has a molecular weight of 208.31 g/mol, XLogP of 0.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[[3-(2-methylpropyl)azetidin-3-yl]methyl]triazole is sourced from PubChem (CID 107058600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).