2-ethyl-2-[[(2-phenyltriazol-4-yl)methylamino]methyl]butan-1-ol

C16H24N4O — CID 103845600

IUPAC2-ethyl-2-[[(2-phenyltriazol-4-yl)methylamino]methyl]butan-1-ol
SMILESCCC(CC)(CO)CNCc1cnn(-c2ccccc2)n1
InChIInChI=1S/C16H24N4O/c1-3-16(4-2,13-21)12-17-10-14-11-18-20(19-14)15-8-6-5-7-9-15/h5-9,11,17,21H,3-4,10,12-13H2,1-2H3
InChIKeyAJTMLDWFZTZXPA-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.16
Rot. Bonds8

About 2-ethyl-2-[[(2-phenyltriazol-4-yl)methylamino]methyl]butan-1-ol

2-ethyl-2-[[(2-phenyltriazol-4-yl)methylamino]methyl]butan-1-ol (PubChem CID 103845600) has the molecular formula C16H24N4O and a molecular weight of 288.39 g/mol. Its IUPAC name is 2-ethyl-2-[[(2-phenyltriazol-4-yl)methylamino]methyl]butan-1-ol.

Molecular Properties

Compound Name2-ethyl-2-[[(2-phenyltriazol-4-yl)methylamino]methyl]butan-1-ol
PubChem CID103845600
Molecular FormulaC16H24N4O
Molecular Weight288.39 g/mol
Exact Mass288.20
IUPAC Name2-ethyl-2-[[(2-phenyltriazol-4-yl)methylamino]methyl]butan-1-ol
SMILESCCC(CC)(CO)CNCc1cnn(-c2ccccc2)n1
InChIInChI=1S/C16H24N4O/c1-3-16(4-2,13-21)12-17-10-14-11-18-20(19-14)15-8-6-5-7-9-15/h5-9,11,17,21H,3-4,10,12-13H2,1-2H3
InChIKeyAJTMLDWFZTZXPA-UHFFFAOYSA-N
XLogP2.16
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-[[(2-phenyltriazol-4-yl)methylamino]methyl]butan-1-ol?
The IUPAC name of 2-ethyl-2-[[(2-phenyltriazol-4-yl)methylamino]methyl]butan-1-ol (CID 103845600) is 2-ethyl-2-[[(2-phenyltriazol-4-yl)methylamino]methyl]butan-1-ol.
What is the SMILES notation for 2-ethyl-2-[[(2-phenyltriazol-4-yl)methylamino]methyl]butan-1-ol?
The canonical SMILES for 2-ethyl-2-[[(2-phenyltriazol-4-yl)methylamino]methyl]butan-1-ol is CCC(CC)(CO)CNCc1cnn(-c2ccccc2)n1.
What is the InChIKey of 2-ethyl-2-[[(2-phenyltriazol-4-yl)methylamino]methyl]butan-1-ol?
The InChIKey is AJTMLDWFZTZXPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O/c1-3-16(4-2,13-21)12-17-10-14-11-18-20(19-14)15-8-6-5-7-9-15/h5-9,11,17,21H,3-4,10,12-13H2,1-2H3.
What are the key properties of 2-ethyl-2-[[(2-phenyltriazol-4-yl)methylamino]methyl]butan-1-ol?
2-ethyl-2-[[(2-phenyltriazol-4-yl)methylamino]methyl]butan-1-ol has a molecular weight of 288.39 g/mol, XLogP of 2.16, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-[[(2-phenyltriazol-4-yl)methylamino]methyl]butan-1-ol is sourced from PubChem (CID 103845600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).