(1R)-1-[4-[(4-chlorophenyl)methyl]-5-(trifluoromethyl)-1,2,4-triazol-3-yl]-N-methylpropan-1-amine

C14H16ClF3N4 — CID 163958045

IUPAC(1R)-1-[4-[(4-chlorophenyl)methyl]-5-(trifluoromethyl)-1,2,4-triazol-3-yl]-N-methylpropan-1-amine
SMILESCC[C@@H](NC)c1nnc(C(F)(F)F)n1Cc1ccc(Cl)cc1
InChIInChI=1S/C14H16ClF3N4/c1-3-11(19-2)12-20-21-13(14(16,17)18)22(12)8-9-4-6-10(15)7-5-9/h4-7,11,19H,3,8H2,1-2H3/t11-/m1/s1
InChIKeySFCOFCNMJSCTOR-LLVKDONJSA-N
MW332.76 g/mol
LogP3.67
Rot. Bonds5

About (1R)-1-[4-[(4-chlorophenyl)methyl]-5-(trifluoromethyl)-1,2,4-triazol-3-yl]-N-methylpropan-1-amine

(1R)-1-[4-[(4-chlorophenyl)methyl]-5-(trifluoromethyl)-1,2,4-triazol-3-yl]-N-methylpropan-1-amine (PubChem CID 163958045) has the molecular formula C14H16ClF3N4 and a molecular weight of 332.76 g/mol. Its IUPAC name is (1R)-1-[4-[(4-chlorophenyl)methyl]-5-(trifluoromethyl)-1,2,4-triazol-3-yl]-N-methylpropan-1-amine.

Molecular Properties

Compound Name(1R)-1-[4-[(4-chlorophenyl)methyl]-5-(trifluoromethyl)-1,2,4-triazol-3-yl]-N-methylpropan-1-amine
PubChem CID163958045
Molecular FormulaC14H16ClF3N4
Molecular Weight332.76 g/mol
Exact Mass332.10
IUPAC Name(1R)-1-[4-[(4-chlorophenyl)methyl]-5-(trifluoromethyl)-1,2,4-triazol-3-yl]-N-methylpropan-1-amine
SMILESCC[C@@H](NC)c1nnc(C(F)(F)F)n1Cc1ccc(Cl)cc1
InChIInChI=1S/C14H16ClF3N4/c1-3-11(19-2)12-20-21-13(14(16,17)18)22(12)8-9-4-6-10(15)7-5-9/h4-7,11,19H,3,8H2,1-2H3/t11-/m1/s1
InChIKeySFCOFCNMJSCTOR-LLVKDONJSA-N
XLogP3.67
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.76
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (1R)-1-[4-[(4-chlorophenyl)methyl]-5-(trifluoromethyl)-1,2,4-triazol-3-yl]-N-methylpropan-1-amine with MolForge

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

Launch Full Analysis

Related Compounds

CID 162663264
CID 162663264
CID 51039754
CID 51039754
CID 62585723
CID 62585723
CID 45273672
CID 45273672
CID 12933335
CID 12933335
CID 45827921
CID 45827921
CID 51084720
CID 51084720
CID 70715875
CID 70715875
CID 70717660
CID 70717660
CID 70733754
CID 70733754
CID 145985576
CID 145985576
CID 103041252
CID 103041252

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[4-[(4-chlorophenyl)methyl]-5-(trifluoromethyl)-1,2,4-triazol-3-yl]-N-methylpropan-1-amine?
The IUPAC name of (1R)-1-[4-[(4-chlorophenyl)methyl]-5-(trifluoromethyl)-1,2,4-triazol-3-yl]-N-methylpropan-1-amine (CID 163958045) is (1R)-1-[4-[(4-chlorophenyl)methyl]-5-(trifluoromethyl)-1,2,4-triazol-3-yl]-N-methylpropan-1-amine.
What is the SMILES notation for (1R)-1-[4-[(4-chlorophenyl)methyl]-5-(trifluoromethyl)-1,2,4-triazol-3-yl]-N-methylpropan-1-amine?
The canonical SMILES for (1R)-1-[4-[(4-chlorophenyl)methyl]-5-(trifluoromethyl)-1,2,4-triazol-3-yl]-N-methylpropan-1-amine is CC[C@@H](NC)c1nnc(C(F)(F)F)n1Cc1ccc(Cl)cc1.
What is the InChIKey of (1R)-1-[4-[(4-chlorophenyl)methyl]-5-(trifluoromethyl)-1,2,4-triazol-3-yl]-N-methylpropan-1-amine?
The InChIKey is SFCOFCNMJSCTOR-LLVKDONJSA-N. The full InChI is InChI=1S/C14H16ClF3N4/c1-3-11(19-2)12-20-21-13(14(16,17)18)22(12)8-9-4-6-10(15)7-5-9/h4-7,11,19H,3,8H2,1-2H3/t11-/m1/s1.
What are the key properties of (1R)-1-[4-[(4-chlorophenyl)methyl]-5-(trifluoromethyl)-1,2,4-triazol-3-yl]-N-methylpropan-1-amine?
(1R)-1-[4-[(4-chlorophenyl)methyl]-5-(trifluoromethyl)-1,2,4-triazol-3-yl]-N-methylpropan-1-amine has a molecular weight of 332.76 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[4-[(4-chlorophenyl)methyl]-5-(trifluoromethyl)-1,2,4-triazol-3-yl]-N-methylpropan-1-amine is sourced from PubChem (CID 163958045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).