(2R)-1-[(2-benzyl-5-phenyltriazol-4-yl)methylamino]propan-2-ol

C19H22N4O — CID 51684317

IUPAC(2R)-1-[(2-benzyl-5-phenyltriazol-4-yl)methylamino]propan-2-ol
SMILESC[C@@H](O)CNCc1nn(Cc2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C19H22N4O/c1-15(24)12-20-13-18-19(17-10-6-3-7-11-17)22-23(21-18)14-16-8-4-2-5-9-16/h2-11,15,20,24H,12-14H2,1H3/t15-/m1/s1
InChIKeyMVAZMUMRGQJYEE-OAHLLOKOSA-N
MW322.41 g/mol
LogP2.46
Rot. Bonds7

About (2R)-1-[(2-benzyl-5-phenyltriazol-4-yl)methylamino]propan-2-ol

(2R)-1-[(2-benzyl-5-phenyltriazol-4-yl)methylamino]propan-2-ol (PubChem CID 51684317) has the molecular formula C19H22N4O and a molecular weight of 322.41 g/mol. Its IUPAC name is (2R)-1-[(2-benzyl-5-phenyltriazol-4-yl)methylamino]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-[(2-benzyl-5-phenyltriazol-4-yl)methylamino]propan-2-ol
PubChem CID51684317
Molecular FormulaC19H22N4O
Molecular Weight322.41 g/mol
Exact Mass322.18
IUPAC Name(2R)-1-[(2-benzyl-5-phenyltriazol-4-yl)methylamino]propan-2-ol
SMILESC[C@@H](O)CNCc1nn(Cc2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C19H22N4O/c1-15(24)12-20-13-18-19(17-10-6-3-7-11-17)22-23(21-18)14-16-8-4-2-5-9-16/h2-11,15,20,24H,12-14H2,1H3/t15-/m1/s1
InChIKeyMVAZMUMRGQJYEE-OAHLLOKOSA-N
XLogP2.46
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-benzyl-5-phenyl-2H-1,2,3-triazol-4-yl)methyl]-N-(tert-butyl)amine
CID 44615823
2-{[(2-ethyl-5-phenyl-2H-1,2,3-triazol-4-yl)methyl]amino}-2-methyl-1-propanol
CID 44615826
2-{[(2-benzyl-5-phenyl-2H-1,2,3-triazol-4-yl)methyl]amino}-2-methyl-1-propanol
CID 44615838
(2S)-1-[(2-ethyl-5-phenyltriazol-4-yl)methylamino]propan-2-ol
CID 51684306
1,1,1-trifluoro-3-[(5-phenyl-2H-triazol-4-yl)methylamino]propan-2-ol
CID 105643106
1,1-difluoro-3-[(5-phenyl-2H-triazol-4-yl)methylamino]propan-2-ol
CID 105644013
1-[2-[(4-fluorophenyl)methyl]-5-phenyltriazol-4-yl]-N-methylmethanamine
CID 119027423
1-[2-[(2-fluorophenyl)methyl]-5-phenyltriazol-4-yl]-N-methylmethanamine
CID 119027427
1-(4-fluorophenyl)-N-[(2-methyl-5-phenyltriazol-4-yl)methyl]methanamine
CID 119027461
2-(cyclohexen-1-yl)-N-[[2-[(2-fluorophenyl)methyl]-5-phenyltriazol-4-yl]methyl]ethanamine
CID 124781627
N-[[2-[(4-fluorophenyl)methyl]-5-phenyltriazol-4-yl]methyl]cyclooctanamine
CID 124781657
N-[(2-benzyl-5-phenyltriazol-4-yl)methyl]-1-(4-fluorophenyl)methanamine
CID 124781664

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(2-benzyl-5-phenyltriazol-4-yl)methylamino]propan-2-ol?
The IUPAC name of (2R)-1-[(2-benzyl-5-phenyltriazol-4-yl)methylamino]propan-2-ol (CID 51684317) is (2R)-1-[(2-benzyl-5-phenyltriazol-4-yl)methylamino]propan-2-ol.
What is the SMILES notation for (2R)-1-[(2-benzyl-5-phenyltriazol-4-yl)methylamino]propan-2-ol?
The canonical SMILES for (2R)-1-[(2-benzyl-5-phenyltriazol-4-yl)methylamino]propan-2-ol is C[C@@H](O)CNCc1nn(Cc2ccccc2)nc1-c1ccccc1.
What is the InChIKey of (2R)-1-[(2-benzyl-5-phenyltriazol-4-yl)methylamino]propan-2-ol?
The InChIKey is MVAZMUMRGQJYEE-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H22N4O/c1-15(24)12-20-13-18-19(17-10-6-3-7-11-17)22-23(21-18)14-16-8-4-2-5-9-16/h2-11,15,20,24H,12-14H2,1H3/t15-/m1/s1.
What are the key properties of (2R)-1-[(2-benzyl-5-phenyltriazol-4-yl)methylamino]propan-2-ol?
(2R)-1-[(2-benzyl-5-phenyltriazol-4-yl)methylamino]propan-2-ol has a molecular weight of 322.41 g/mol, XLogP of 2.46, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(2-benzyl-5-phenyltriazol-4-yl)methylamino]propan-2-ol is sourced from PubChem (CID 51684317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).