N-[[5-chloro-2-(3,5-dimethyl-1,2,4-triazol-1-yl)phenyl]methyl]-2-methylpropan-2-amine

C15H21ClN4 — CID 114854409

IUPACN-[[5-chloro-2-(3,5-dimethyl-1,2,4-triazol-1-yl)phenyl]methyl]-2-methylpropan-2-amine
SMILESCc1nc(C)n(-c2ccc(Cl)cc2CNC(C)(C)C)n1
InChIInChI=1S/C15H21ClN4/c1-10-18-11(2)20(19-10)14-7-6-13(16)8-12(14)9-17-15(3,4)5/h6-8,17H,9H2,1-5H3
InChIKeyUXCFDMWNVZEIFB-UHFFFAOYSA-N
MW292.81 g/mol
LogP3.43
Rot. Bonds3

About N-[[5-chloro-2-(3,5-dimethyl-1,2,4-triazol-1-yl)phenyl]methyl]-2-methylpropan-2-amine

N-[[5-chloro-2-(3,5-dimethyl-1,2,4-triazol-1-yl)phenyl]methyl]-2-methylpropan-2-amine (PubChem CID 114854409) has the molecular formula C15H21ClN4 and a molecular weight of 292.81 g/mol. Its IUPAC name is N-[[5-chloro-2-(3,5-dimethyl-1,2,4-triazol-1-yl)phenyl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[5-chloro-2-(3,5-dimethyl-1,2,4-triazol-1-yl)phenyl]methyl]-2-methylpropan-2-amine
PubChem CID114854409
Molecular FormulaC15H21ClN4
Molecular Weight292.81 g/mol
Exact Mass292.15
IUPAC NameN-[[5-chloro-2-(3,5-dimethyl-1,2,4-triazol-1-yl)phenyl]methyl]-2-methylpropan-2-amine
SMILESCc1nc(C)n(-c2ccc(Cl)cc2CNC(C)(C)C)n1
InChIInChI=1S/C15H21ClN4/c1-10-18-11(2)20(19-10)14-7-6-13(16)8-12(14)9-17-15(3,4)5/h6-8,17H,9H2,1-5H3
InChIKeyUXCFDMWNVZEIFB-UHFFFAOYSA-N
XLogP3.43
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.81
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[5-chloro-2-(3,5-dimethyl-1,2,4-triazol-1-yl)phenyl]methyl]-2-methylpropan-2-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

N-[[5-chloro-2-(3,5-dimethyl-1,2,4-triazol-1-yl)phenyl]methyl]-2-methoxyethanamine
CID 114854395
N-[[5-chloro-2-(3,5-dimethyl-1,2,4-triazol-1-yl)-4-pyridinyl]methyl]-2-methylpropan-2-amine
CID 114927307
N-[[5-chloro-2-(3-propan-2-ylpyrazol-1-yl)phenyl]methyl]-2-methylpropan-2-amine
CID 114854597
1-[2-(bromomethyl)-5-chlorophenyl]-3,5-dimethyl-1,2,4-triazole
CID 107085916
N-[(5-chloro-2-fluorophenyl)methyl]-2-methylpropan-2-amine
CID 60984555
N-[[5-chloro-2-(4-iodopyrazol-1-yl)phenyl]methyl]-2-methylpropan-2-amine
CID 114854706
N-[[4-chloro-2-(3-methylpyrazol-1-yl)phenyl]methyl]-2-methylpropan-2-amine
CID 114854535
N-[[2-(3,5-dimethyl-1,2,4-triazol-1-yl)-5-fluorophenyl]methyl]ethanamine
CID 61347111
N-[[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-5-chlorophenyl]methyl]-2-methylpropan-2-amine
CID 114852910
N-[[1-[(5-chloro-2-fluorophenyl)methyl]-3-methylpyrazol-4-yl]methyl]-2-methylpropan-2-amine
CID 103050335
N-[[2-(3,5-dimethylpyrazol-1-yl)-5-fluorophenyl]methyl]-2-methylpropan-2-amine
CID 63072475
[1-[2-[(tert-butylamino)methyl]-4-chlorophenyl]piperidin-4-yl]methanol
CID 114847855

Frequently Asked Questions

What is the IUPAC name of N-[[5-chloro-2-(3,5-dimethyl-1,2,4-triazol-1-yl)phenyl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[5-chloro-2-(3,5-dimethyl-1,2,4-triazol-1-yl)phenyl]methyl]-2-methylpropan-2-amine (CID 114854409) is N-[[5-chloro-2-(3,5-dimethyl-1,2,4-triazol-1-yl)phenyl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[5-chloro-2-(3,5-dimethyl-1,2,4-triazol-1-yl)phenyl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[5-chloro-2-(3,5-dimethyl-1,2,4-triazol-1-yl)phenyl]methyl]-2-methylpropan-2-amine is Cc1nc(C)n(-c2ccc(Cl)cc2CNC(C)(C)C)n1.
What is the InChIKey of N-[[5-chloro-2-(3,5-dimethyl-1,2,4-triazol-1-yl)phenyl]methyl]-2-methylpropan-2-amine?
The InChIKey is UXCFDMWNVZEIFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN4/c1-10-18-11(2)20(19-10)14-7-6-13(16)8-12(14)9-17-15(3,4)5/h6-8,17H,9H2,1-5H3.
What are the key properties of N-[[5-chloro-2-(3,5-dimethyl-1,2,4-triazol-1-yl)phenyl]methyl]-2-methylpropan-2-amine?
N-[[5-chloro-2-(3,5-dimethyl-1,2,4-triazol-1-yl)phenyl]methyl]-2-methylpropan-2-amine has a molecular weight of 292.81 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-chloro-2-(3,5-dimethyl-1,2,4-triazol-1-yl)phenyl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 114854409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).