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

C19H21FN4O — CID 111466930

IUPAC1-(4-fluorophenyl)-2-[[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methylamino]propan-1-ol
SMILESCc1cc(CNC(C)C(O)c2ccc(F)cc2)ccc1-n1cncn1
InChIInChI=1S/C19H21FN4O/c1-13-9-15(3-8-18(13)24-12-21-11-23-24)10-22-14(2)19(25)16-4-6-17(20)7-5-16/h3-9,11-12,14,19,22,25H,10H2,1-2H3
InChIKeyCOUDTOWRHNMJFL-UHFFFAOYSA-N
MW340.40 g/mol
LogP2.93
Rot. Bonds6

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

1-(4-fluorophenyl)-2-[[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methylamino]propan-1-ol (PubChem CID 111466930) has the molecular formula C19H21FN4O and a molecular weight of 340.40 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-2-[[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methylamino]propan-1-ol.

Molecular Properties

Compound Name1-(4-fluorophenyl)-2-[[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methylamino]propan-1-ol
PubChem CID111466930
Molecular FormulaC19H21FN4O
Molecular Weight340.40 g/mol
Exact Mass340.17
IUPAC Name1-(4-fluorophenyl)-2-[[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methylamino]propan-1-ol
SMILESCc1cc(CNC(C)C(O)c2ccc(F)cc2)ccc1-n1cncn1
InChIInChI=1S/C19H21FN4O/c1-13-9-15(3-8-18(13)24-12-21-11-23-24)10-22-14(2)19(25)16-4-6-17(20)7-5-16/h3-9,11-12,14,19,22,25H,10H2,1-2H3
InChIKeyCOUDTOWRHNMJFL-UHFFFAOYSA-N
XLogP2.93
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-(4-fluorophenyl)-2-[[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methylamino]propan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-2-[[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methylamino]propan-1-ol?
The IUPAC name of 1-(4-fluorophenyl)-2-[[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methylamino]propan-1-ol (CID 111466930) is 1-(4-fluorophenyl)-2-[[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methylamino]propan-1-ol.
What is the SMILES notation for 1-(4-fluorophenyl)-2-[[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methylamino]propan-1-ol?
The canonical SMILES for 1-(4-fluorophenyl)-2-[[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methylamino]propan-1-ol is Cc1cc(CNC(C)C(O)c2ccc(F)cc2)ccc1-n1cncn1.
What is the InChIKey of 1-(4-fluorophenyl)-2-[[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methylamino]propan-1-ol?
The InChIKey is COUDTOWRHNMJFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN4O/c1-13-9-15(3-8-18(13)24-12-21-11-23-24)10-22-14(2)19(25)16-4-6-17(20)7-5-16/h3-9,11-12,14,19,22,25H,10H2,1-2H3.
What are the key properties of 1-(4-fluorophenyl)-2-[[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methylamino]propan-1-ol?
1-(4-fluorophenyl)-2-[[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methylamino]propan-1-ol has a molecular weight of 340.40 g/mol, XLogP of 2.93, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-2-[[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methylamino]propan-1-ol is sourced from PubChem (CID 111466930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).