1-[ethyl-[1-(1-phenyltriazol-4-yl)ethyl]amino]-2-methylpropan-2-ol

C16H24N4O — CID 75436479

IUPAC1-[ethyl-[1-(1-phenyltriazol-4-yl)ethyl]amino]-2-methylpropan-2-ol
SMILESCCN(CC(C)(C)O)C(C)c1cn(-c2ccccc2)nn1
InChIInChI=1S/C16H24N4O/c1-5-19(12-16(3,4)21)13(2)15-11-20(18-17-15)14-9-7-6-8-10-14/h6-11,13,21H,5,12H2,1-4H3
InChIKeyWVCIEAIQRCJDKL-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.42
Rot. Bonds6

About 1-[ethyl-[1-(1-phenyltriazol-4-yl)ethyl]amino]-2-methylpropan-2-ol

1-[ethyl-[1-(1-phenyltriazol-4-yl)ethyl]amino]-2-methylpropan-2-ol (PubChem CID 75436479) has the molecular formula C16H24N4O and a molecular weight of 288.39 g/mol. Its IUPAC name is 1-[ethyl-[1-(1-phenyltriazol-4-yl)ethyl]amino]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[ethyl-[1-(1-phenyltriazol-4-yl)ethyl]amino]-2-methylpropan-2-ol
PubChem CID75436479
Molecular FormulaC16H24N4O
Molecular Weight288.39 g/mol
Exact Mass288.20
IUPAC Name1-[ethyl-[1-(1-phenyltriazol-4-yl)ethyl]amino]-2-methylpropan-2-ol
SMILESCCN(CC(C)(C)O)C(C)c1cn(-c2ccccc2)nn1
InChIInChI=1S/C16H24N4O/c1-5-19(12-16(3,4)21)13(2)15-11-20(18-17-15)14-9-7-6-8-10-14/h6-11,13,21H,5,12H2,1-4H3
InChIKeyWVCIEAIQRCJDKL-UHFFFAOYSA-N
XLogP2.42
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[ethyl-[1-(1-phenyltriazol-4-yl)ethyl]amino]-2-methylpropan-2-ol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[ethyl-[1-(1-phenyltriazol-4-yl)ethyl]amino]-2-methylpropan-2-ol?
The IUPAC name of 1-[ethyl-[1-(1-phenyltriazol-4-yl)ethyl]amino]-2-methylpropan-2-ol (CID 75436479) is 1-[ethyl-[1-(1-phenyltriazol-4-yl)ethyl]amino]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[ethyl-[1-(1-phenyltriazol-4-yl)ethyl]amino]-2-methylpropan-2-ol?
The canonical SMILES for 1-[ethyl-[1-(1-phenyltriazol-4-yl)ethyl]amino]-2-methylpropan-2-ol is CCN(CC(C)(C)O)C(C)c1cn(-c2ccccc2)nn1.
What is the InChIKey of 1-[ethyl-[1-(1-phenyltriazol-4-yl)ethyl]amino]-2-methylpropan-2-ol?
The InChIKey is WVCIEAIQRCJDKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O/c1-5-19(12-16(3,4)21)13(2)15-11-20(18-17-15)14-9-7-6-8-10-14/h6-11,13,21H,5,12H2,1-4H3.
What are the key properties of 1-[ethyl-[1-(1-phenyltriazol-4-yl)ethyl]amino]-2-methylpropan-2-ol?
1-[ethyl-[1-(1-phenyltriazol-4-yl)ethyl]amino]-2-methylpropan-2-ol has a molecular weight of 288.39 g/mol, XLogP of 2.42, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[ethyl-[1-(1-phenyltriazol-4-yl)ethyl]amino]-2-methylpropan-2-ol is sourced from PubChem (CID 75436479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).