1-[[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methylamino]-2-phenylpropan-2-ol

C19H22N4O — CID 111466866

IUPAC1-[[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methylamino]-2-phenylpropan-2-ol
SMILESCc1cc(CNCC(C)(O)c2ccccc2)ccc1-n1cncn1
InChIInChI=1S/C19H22N4O/c1-15-10-16(8-9-18(15)23-14-21-13-22-23)11-20-12-19(2,24)17-6-4-3-5-7-17/h3-10,13-14,20,24H,11-12H2,1-2H3
InChIKeyLVYIGITYPKHGEK-UHFFFAOYSA-N
MW322.41 g/mol
LogP2.57
Rot. Bonds6

About 1-[[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methylamino]-2-phenylpropan-2-ol

1-[[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methylamino]-2-phenylpropan-2-ol (PubChem CID 111466866) has the molecular formula C19H22N4O and a molecular weight of 322.41 g/mol. Its IUPAC name is 1-[[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methylamino]-2-phenylpropan-2-ol.

Molecular Properties

Compound Name1-[[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methylamino]-2-phenylpropan-2-ol
PubChem CID111466866
Molecular FormulaC19H22N4O
Molecular Weight322.41 g/mol
Exact Mass322.18
IUPAC Name1-[[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methylamino]-2-phenylpropan-2-ol
SMILESCc1cc(CNCC(C)(O)c2ccccc2)ccc1-n1cncn1
InChIInChI=1S/C19H22N4O/c1-15-10-16(8-9-18(15)23-14-21-13-22-23)11-20-12-19(2,24)17-6-4-3-5-7-17/h3-10,13-14,20,24H,11-12H2,1-2H3
InChIKeyLVYIGITYPKHGEK-UHFFFAOYSA-N
XLogP2.57
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(4-Tert-butylphenyl)piperazin-1-yl]-2-(2,4-difluorophenyl)-3-(1,2,4-triazol-1-yl)propan-2-ol
CID 16074064
4-[4-[[[2-(2,4-Difluorophenyl)-2-hydroxy-3-(1,2,4-triazol-1-yl)propyl]-methyl-amino]methyl]phenyl]-2-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-one
CID 11504919
1-[(4-Aminophenyl)methyl-methyl-amino]-2-(2,4-difluorophenyl)-3-(1,2,4-triazol-1-yl)propan-2-ol
CID 11617693
4-[4-[[[2-(2,4-Difluorophenyl)-2-hydroxy-3-(1,2,4-triazol-1-yl)propyl]-methyl-amino]methyl]phenyl]-2-[(4-fluorophenyl)methyl]-1,2,4-triazol-3-one
CID 11628152
2-Benzyl-4-[4-[[[2-(2,4-difluorophenyl)-2-hydroxy-3-(1,2,4-triazol-1-yl)propyl]-methyl-amino]methyl]phenyl]-1,2,4-triazol-3-one
CID 11685178
4-[4-[[[2-(2,4-Difluorophenyl)-2-hydroxy-3-(1,2,4-triazol-1-yl)propyl]-methyl-amino]methyl]phenyl]-2-(m-tolylmethyl)-1,2,4-triazol-3-one
CID 11699566
4-[4-[[[2-(2,4-Difluorophenyl)-2-hydroxy-3-(1,2,4-triazol-1-yl)propyl]-methyl-amino]methyl]phenyl]-2-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-triazol-3-one
CID 11707025
2-(2,4-Difluorophenyl)-1-(1,2,4-triazol-1-yl)-3-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]propan-2-ol
CID 16074063
2-(2,4-Difluorophenyl)-1-(4-propan-2-ylanilino)-3-(1,2,4-triazol-1-yl)propan-2-ol
CID 135209013
2-[[2-(2,4-difluorophenyl)-2-hydroxy-3-(1,2,4-triazol-1-yl)propyl]-methyl-amino]-N-(p-tolyl)acetamide
CID 49818763
2-[[2-(2,4-difluorophenyl)-2-hydroxy-3-(1,2,4-triazol-1-yl)propyl]-methyl-amino]-N-(2,4-dimethylphenyl)acetamide
CID 49820987
2-[2-(2,4-Difluorophenyl)-2-hydroxy-3-(1,2,4-triazol-1-yl)propyl]-4-(p-tolyl)-1,2,4-triazol-3-one
CID 53330835

Frequently Asked Questions

What is the IUPAC name of 1-[[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methylamino]-2-phenylpropan-2-ol?
The IUPAC name of 1-[[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methylamino]-2-phenylpropan-2-ol (CID 111466866) is 1-[[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methylamino]-2-phenylpropan-2-ol.
What is the SMILES notation for 1-[[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methylamino]-2-phenylpropan-2-ol?
The canonical SMILES for 1-[[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methylamino]-2-phenylpropan-2-ol is Cc1cc(CNCC(C)(O)c2ccccc2)ccc1-n1cncn1.
What is the InChIKey of 1-[[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methylamino]-2-phenylpropan-2-ol?
The InChIKey is LVYIGITYPKHGEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O/c1-15-10-16(8-9-18(15)23-14-21-13-22-23)11-20-12-19(2,24)17-6-4-3-5-7-17/h3-10,13-14,20,24H,11-12H2,1-2H3.
What are the key properties of 1-[[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methylamino]-2-phenylpropan-2-ol?
1-[[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methylamino]-2-phenylpropan-2-ol has a molecular weight of 322.41 g/mol, XLogP of 2.57, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methylamino]-2-phenylpropan-2-ol is sourced from PubChem (CID 111466866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).