(2S)-1-[(2-ethyl-5-phenyltriazol-4-yl)methylamino]propan-2-ol

C14H20N4O — CID 51684306

IUPAC(2S)-1-[(2-ethyl-5-phenyltriazol-4-yl)methylamino]propan-2-ol
SMILESCCn1nc(CNC[C@H](C)O)c(-c2ccccc2)n1
InChIInChI=1S/C14H20N4O/c1-3-18-16-13(10-15-9-11(2)19)14(17-18)12-7-5-4-6-8-12/h4-8,11,15,19H,3,9-10H2,1-2H3/t11-/m0/s1
InChIKeyWIXVIZCYDMCFNB-NSHDSACASA-N
MW260.34 g/mol
LogP1.44
Rot. Bonds6

About (2S)-1-[(2-ethyl-5-phenyltriazol-4-yl)methylamino]propan-2-ol

(2S)-1-[(2-ethyl-5-phenyltriazol-4-yl)methylamino]propan-2-ol (PubChem CID 51684306) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is (2S)-1-[(2-ethyl-5-phenyltriazol-4-yl)methylamino]propan-2-ol.

Molecular Properties

Compound Name(2S)-1-[(2-ethyl-5-phenyltriazol-4-yl)methylamino]propan-2-ol
PubChem CID51684306
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC Name(2S)-1-[(2-ethyl-5-phenyltriazol-4-yl)methylamino]propan-2-ol
SMILESCCn1nc(CNC[C@H](C)O)c(-c2ccccc2)n1
InChIInChI=1S/C14H20N4O/c1-3-18-16-13(10-15-9-11(2)19)14(17-18)12-7-5-4-6-8-12/h4-8,11,15,19H,3,9-10H2,1-2H3/t11-/m0/s1
InChIKeyWIXVIZCYDMCFNB-NSHDSACASA-N
XLogP1.44
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(2-ethyl-5-phenyltriazol-4-yl)methylamino]propan-2-ol?
The IUPAC name of (2S)-1-[(2-ethyl-5-phenyltriazol-4-yl)methylamino]propan-2-ol (CID 51684306) is (2S)-1-[(2-ethyl-5-phenyltriazol-4-yl)methylamino]propan-2-ol.
What is the SMILES notation for (2S)-1-[(2-ethyl-5-phenyltriazol-4-yl)methylamino]propan-2-ol?
The canonical SMILES for (2S)-1-[(2-ethyl-5-phenyltriazol-4-yl)methylamino]propan-2-ol is CCn1nc(CNC[C@H](C)O)c(-c2ccccc2)n1.
What is the InChIKey of (2S)-1-[(2-ethyl-5-phenyltriazol-4-yl)methylamino]propan-2-ol?
The InChIKey is WIXVIZCYDMCFNB-NSHDSACASA-N. The full InChI is InChI=1S/C14H20N4O/c1-3-18-16-13(10-15-9-11(2)19)14(17-18)12-7-5-4-6-8-12/h4-8,11,15,19H,3,9-10H2,1-2H3/t11-/m0/s1.
What are the key properties of (2S)-1-[(2-ethyl-5-phenyltriazol-4-yl)methylamino]propan-2-ol?
(2S)-1-[(2-ethyl-5-phenyltriazol-4-yl)methylamino]propan-2-ol has a molecular weight of 260.34 g/mol, XLogP of 1.44, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(2-ethyl-5-phenyltriazol-4-yl)methylamino]propan-2-ol is sourced from PubChem (CID 51684306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).