(2R)-2-[(3-methyltriazol-4-yl)methylamino]-2-phenylethanol

C12H16N4O — CID 113257729

IUPAC(2R)-2-[(3-methyltriazol-4-yl)methylamino]-2-phenylethanol
SMILESCn1nncc1CN[C@@H](CO)c1ccccc1
InChIInChI=1S/C12H16N4O/c1-16-11(8-14-15-16)7-13-12(9-17)10-5-3-2-4-6-10/h2-6,8,12-13,17H,7,9H2,1H3/t12-/m0/s1
InChIKeySTTDTBFFXQTTFJ-LBPRGKRZSA-N
MW232.29 g/mol
LogP0.64
Rot. Bonds5

About (2R)-2-[(3-methyltriazol-4-yl)methylamino]-2-phenylethanol

(2R)-2-[(3-methyltriazol-4-yl)methylamino]-2-phenylethanol (PubChem CID 113257729) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is (2R)-2-[(3-methyltriazol-4-yl)methylamino]-2-phenylethanol.

Molecular Properties

Compound Name(2R)-2-[(3-methyltriazol-4-yl)methylamino]-2-phenylethanol
PubChem CID113257729
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC Name(2R)-2-[(3-methyltriazol-4-yl)methylamino]-2-phenylethanol
SMILESCn1nncc1CN[C@@H](CO)c1ccccc1
InChIInChI=1S/C12H16N4O/c1-16-11(8-14-15-16)7-13-12(9-17)10-5-3-2-4-6-10/h2-6,8,12-13,17H,7,9H2,1H3/t12-/m0/s1
InChIKeySTTDTBFFXQTTFJ-LBPRGKRZSA-N
XLogP0.64
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-[(1,5-dimethylpyrazol-4-yl)methylamino]-2-phenylethanol
CID 103851995
N-[(3-methyltriazol-4-yl)methyl]-1-phenyl-1-thiophen-2-ylmethanamine
CID 115682173
2-phenyl-2-[(3-propylimidazol-4-yl)methylamino]ethanol
CID 66130986
N-[(3-methyltriazol-4-yl)methyl]-2-phenylpropan-1-amine
CID 115682110
2-phenyl-2-[(3-propan-2-ylimidazol-4-yl)methylamino]ethanol
CID 66162781
(2S)-2-phenyl-2-[(2-propylpyrazol-3-yl)methylamino]ethanol
CID 107862266
1-(2-methoxyphenyl)-N-[(3-methyltriazol-4-yl)methyl]propan-1-amine
CID 115682303
N-[(3-methyltriazol-4-yl)methyl]-1-phenylmethanamine
CID 115682087
1-(3-fluorophenyl)-N-[(3-methyltriazol-4-yl)methyl]ethanamine
CID 115682035
N-[(3-methyltriazol-4-yl)methyl]-1-thiophen-2-ylbutan-1-amine
CID 115682482
(1S)-N-[(3-methyltriazol-4-yl)methyl]-1-pyridin-2-ylethanamine
CID 103739296
3-(3-methyltriazol-4-yl)-2-phenyl-N-propan-2-ylpropan-1-amine
CID 114691554

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(3-methyltriazol-4-yl)methylamino]-2-phenylethanol?
The IUPAC name of (2R)-2-[(3-methyltriazol-4-yl)methylamino]-2-phenylethanol (CID 113257729) is (2R)-2-[(3-methyltriazol-4-yl)methylamino]-2-phenylethanol.
What is the SMILES notation for (2R)-2-[(3-methyltriazol-4-yl)methylamino]-2-phenylethanol?
The canonical SMILES for (2R)-2-[(3-methyltriazol-4-yl)methylamino]-2-phenylethanol is Cn1nncc1CN[C@@H](CO)c1ccccc1.
What is the InChIKey of (2R)-2-[(3-methyltriazol-4-yl)methylamino]-2-phenylethanol?
The InChIKey is STTDTBFFXQTTFJ-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H16N4O/c1-16-11(8-14-15-16)7-13-12(9-17)10-5-3-2-4-6-10/h2-6,8,12-13,17H,7,9H2,1H3/t12-/m0/s1.
What are the key properties of (2R)-2-[(3-methyltriazol-4-yl)methylamino]-2-phenylethanol?
(2R)-2-[(3-methyltriazol-4-yl)methylamino]-2-phenylethanol has a molecular weight of 232.29 g/mol, XLogP of 0.64, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(3-methyltriazol-4-yl)methylamino]-2-phenylethanol is sourced from PubChem (CID 113257729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).