1-(1-methyltriazol-4-yl)-3-(oxan-2-yl)propan-2-amine

C11H20N4O — CID 107050849

IUPAC1-(1-methyltriazol-4-yl)-3-(oxan-2-yl)propan-2-amine
SMILESCn1cc(CC(N)CC2CCCCO2)nn1
InChIInChI=1S/C11H20N4O/c1-15-8-10(13-14-15)6-9(12)7-11-4-2-3-5-16-11/h8-9,11H,2-7,12H2,1H3
InChIKeyWIWUQMNJEMBIIO-UHFFFAOYSA-N
MW224.31 g/mol
LogP0.64
Rot. Bonds4

About 1-(1-methyltriazol-4-yl)-3-(oxan-2-yl)propan-2-amine

1-(1-methyltriazol-4-yl)-3-(oxan-2-yl)propan-2-amine (PubChem CID 107050849) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is 1-(1-methyltriazol-4-yl)-3-(oxan-2-yl)propan-2-amine.

Molecular Properties

Compound Name1-(1-methyltriazol-4-yl)-3-(oxan-2-yl)propan-2-amine
PubChem CID107050849
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC Name1-(1-methyltriazol-4-yl)-3-(oxan-2-yl)propan-2-amine
SMILESCn1cc(CC(N)CC2CCCCO2)nn1
InChIInChI=1S/C11H20N4O/c1-15-8-10(13-14-15)6-9(12)7-11-4-2-3-5-16-11/h8-9,11H,2-7,12H2,1H3
InChIKeyWIWUQMNJEMBIIO-UHFFFAOYSA-N
XLogP0.64
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(1-methyltriazol-4-yl)-3-(oxan-2-yl)propan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(1-butan-2-ylpyrazol-3-yl)-3-(oxolan-2-yl)propan-2-amine
CID 64784520
1-(2-methyloxolan-3-yl)-2-(1-methyltriazol-4-yl)ethanamine
CID 107064153
N-[2-(1-methyltriazol-4-yl)-1-(oxan-2-yl)ethyl]propan-1-amine
CID 107064615
2-amino-3-(1-methyltriazol-4-yl)propan-1-ol
CID 107055170
2-(1-methyltriazol-4-yl)-1-(oxolan-3-yl)ethanamine
CID 107049452
1-(4-chlorophenyl)-3-(oxan-2-yl)propan-2-amine
CID 113391539
1-imidazo[2,1-b][1,3]thiazol-6-yl-3-(oxolan-2-yl)propan-2-amine
CID 115333411
1,3-bis(oxolan-2-yl)propan-2-amine
CID 62601237
2-cyclopentyl-3-(1-methyltriazol-4-yl)propan-1-ol
CID 107057890
1-(oxolan-2-yl)-3-(2,4,6-trimethylphenyl)propan-2-amine
CID 55085081
1-(2-methyloxolan-2-yl)-2-(1-methyltriazol-4-yl)ethanamine
CID 107050311
N-[(1-methyltriazol-4-yl)methyl]-3-(oxolan-2-ylmethoxy)propan-1-amine
CID 55113602

Frequently Asked Questions

What is the IUPAC name of 1-(1-methyltriazol-4-yl)-3-(oxan-2-yl)propan-2-amine?
The IUPAC name of 1-(1-methyltriazol-4-yl)-3-(oxan-2-yl)propan-2-amine (CID 107050849) is 1-(1-methyltriazol-4-yl)-3-(oxan-2-yl)propan-2-amine.
What is the SMILES notation for 1-(1-methyltriazol-4-yl)-3-(oxan-2-yl)propan-2-amine?
The canonical SMILES for 1-(1-methyltriazol-4-yl)-3-(oxan-2-yl)propan-2-amine is Cn1cc(CC(N)CC2CCCCO2)nn1.
What is the InChIKey of 1-(1-methyltriazol-4-yl)-3-(oxan-2-yl)propan-2-amine?
The InChIKey is WIWUQMNJEMBIIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-15-8-10(13-14-15)6-9(12)7-11-4-2-3-5-16-11/h8-9,11H,2-7,12H2,1H3.
What are the key properties of 1-(1-methyltriazol-4-yl)-3-(oxan-2-yl)propan-2-amine?
1-(1-methyltriazol-4-yl)-3-(oxan-2-yl)propan-2-amine has a molecular weight of 224.31 g/mol, XLogP of 0.64, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methyltriazol-4-yl)-3-(oxan-2-yl)propan-2-amine is sourced from PubChem (CID 107050849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).