1-methyl-5-[[3-(2-methylpropyl)azetidin-3-yl]methyl]-1,2,4-triazole

C11H20N4 — CID 79452651

IUPAC1-methyl-5-[[3-(2-methylpropyl)azetidin-3-yl]methyl]-1,2,4-triazole
SMILESCC(C)CC1(Cc2ncnn2C)CNC1
InChIInChI=1S/C11H20N4/c1-9(2)4-11(6-12-7-11)5-10-13-8-14-15(10)3/h8-9,12H,4-7H2,1-3H3
InChIKeyZERJWCGUSLVXDK-UHFFFAOYSA-N
MW208.31 g/mol
LogP0.99
Rot. Bonds4

About 1-methyl-5-[[3-(2-methylpropyl)azetidin-3-yl]methyl]-1,2,4-triazole

1-methyl-5-[[3-(2-methylpropyl)azetidin-3-yl]methyl]-1,2,4-triazole (PubChem CID 79452651) has the molecular formula C11H20N4 and a molecular weight of 208.31 g/mol. Its IUPAC name is 1-methyl-5-[[3-(2-methylpropyl)azetidin-3-yl]methyl]-1,2,4-triazole.

Molecular Properties

Compound Name1-methyl-5-[[3-(2-methylpropyl)azetidin-3-yl]methyl]-1,2,4-triazole
PubChem CID79452651
Molecular FormulaC11H20N4
Molecular Weight208.31 g/mol
Exact Mass208.17
IUPAC Name1-methyl-5-[[3-(2-methylpropyl)azetidin-3-yl]methyl]-1,2,4-triazole
SMILESCC(C)CC1(Cc2ncnn2C)CNC1
InChIInChI=1S/C11H20N4/c1-9(2)4-11(6-12-7-11)5-10-13-8-14-15(10)3/h8-9,12H,4-7H2,1-3H3
InChIKeyZERJWCGUSLVXDK-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

1-ethyl-5-[[3-(2-methylpropyl)azetidin-3-yl]methyl]-1,2,4-triazole
CID 79451834
1-methyl-4-[[3-(2-methylpropyl)azetidin-3-yl]methyl]pyrazole
CID 79451734
[1-[(2-methyl-1,2,4-triazol-3-yl)methyl]cyclobutyl]methanol
CID 66025203
1-[1-(2-methylpropyl)cyclopentyl]-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine
CID 104997606
1-[(2-methyl-1,2,4-triazol-3-yl)methyl]cyclopropan-1-amine
CID 66025326
5-[[4-(bromomethyl)oxan-4-yl]methyl]-1-methyl-1,2,4-triazole
CID 66049521
3-(2-methylpropyl)-3-[(2,4,6-trimethylphenyl)methyl]azetidine
CID 79452141
2-methyl-N-[[2-methyl-3-[(2-methyl-1,2,4-triazol-3-yl)methyl]oxolan-3-yl]methyl]propan-1-amine
CID 114535095
ethane;5-ethyl-1-methyl-1,2,4-triazole
CID 164877506
3,3-dimethyl-1-[(2-methyl-1,2,4-triazol-3-yl)methyl]cyclopentan-1-amine
CID 80705359
3-methyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]-2-propan-2-ylbutan-1-amine
CID 102905256
5-[(3-methylazetidin-3-yl)oxymethyl]-1-(2-methylpropyl)-1,2,4-triazole
CID 83067656

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-[[3-(2-methylpropyl)azetidin-3-yl]methyl]-1,2,4-triazole?
The IUPAC name of 1-methyl-5-[[3-(2-methylpropyl)azetidin-3-yl]methyl]-1,2,4-triazole (CID 79452651) is 1-methyl-5-[[3-(2-methylpropyl)azetidin-3-yl]methyl]-1,2,4-triazole.
What is the SMILES notation for 1-methyl-5-[[3-(2-methylpropyl)azetidin-3-yl]methyl]-1,2,4-triazole?
The canonical SMILES for 1-methyl-5-[[3-(2-methylpropyl)azetidin-3-yl]methyl]-1,2,4-triazole is CC(C)CC1(Cc2ncnn2C)CNC1.
What is the InChIKey of 1-methyl-5-[[3-(2-methylpropyl)azetidin-3-yl]methyl]-1,2,4-triazole?
The InChIKey is ZERJWCGUSLVXDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4/c1-9(2)4-11(6-12-7-11)5-10-13-8-14-15(10)3/h8-9,12H,4-7H2,1-3H3.
What are the key properties of 1-methyl-5-[[3-(2-methylpropyl)azetidin-3-yl]methyl]-1,2,4-triazole?
1-methyl-5-[[3-(2-methylpropyl)azetidin-3-yl]methyl]-1,2,4-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-5-[[3-(2-methylpropyl)azetidin-3-yl]methyl]-1,2,4-triazole is sourced from PubChem (CID 79452651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).