N-methyl-1-(5-phenyl-1,2,4-triazin-3-yl)propan-2-amine

C13H16N4 — CID 105485925

IUPACN-methyl-1-(5-phenyl-1,2,4-triazin-3-yl)propan-2-amine
SMILESCNC(C)Cc1nncc(-c2ccccc2)n1
InChIInChI=1S/C13H16N4/c1-10(14-2)8-13-16-12(9-15-17-13)11-6-4-3-5-7-11/h3-7,9-10,14H,8H2,1-2H3
InChIKeyDKRRWNXJYONAJB-UHFFFAOYSA-N
MW228.30 g/mol
LogP1.69
Rot. Bonds4

About N-methyl-1-(5-phenyl-1,2,4-triazin-3-yl)propan-2-amine

N-methyl-1-(5-phenyl-1,2,4-triazin-3-yl)propan-2-amine (PubChem CID 105485925) has the molecular formula C13H16N4 and a molecular weight of 228.30 g/mol. Its IUPAC name is N-methyl-1-(5-phenyl-1,2,4-triazin-3-yl)propan-2-amine.

Molecular Properties

Compound NameN-methyl-1-(5-phenyl-1,2,4-triazin-3-yl)propan-2-amine
PubChem CID105485925
Molecular FormulaC13H16N4
Molecular Weight228.30 g/mol
Exact Mass228.14
IUPAC NameN-methyl-1-(5-phenyl-1,2,4-triazin-3-yl)propan-2-amine
SMILESCNC(C)Cc1nncc(-c2ccccc2)n1
InChIInChI=1S/C13H16N4/c1-10(14-2)8-13-16-12(9-15-17-13)11-6-4-3-5-7-11/h3-7,9-10,14H,8H2,1-2H3
InChIKeyDKRRWNXJYONAJB-UHFFFAOYSA-N
XLogP1.69
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-methyl-1-(5-phenyl-1,2,4-triazin-3-yl)propan-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

1-(5-cyclopropyl-1,2,4-triazin-3-yl)-N-methylpropan-2-amine
CID 105446561
(5-phenyl-1,2,4-triazin-3-yl)methanesulfinate
CID 175275811
N-methyl-1-(4-phenylphenyl)propan-2-amine
CID 82540674
N-methyl-1-phenylpropan-2-amine
CID 118309477
N-methyl-1-[5-(2-methyl-6-phenyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]propan-2-amine;hydrochloride
CID 120865067
N,4-dimethyl-5-(4-phenyl-1,3-thiazol-2-yl)pentan-2-amine
CID 79817421
5-phenyl-3-(pyrrolidin-1-ylsulfonylmethyl)-1,2,4-triazine
CID 11088027
potassium;hydride;N-methyl-1-phenylpropan-2-amine
CID 175165101
N-methyl-1-[5-[1-(5-phenyltetrazol-2-yl)ethyl]-1,2,4-oxadiazol-3-yl]propan-2-amine;hydrochloride
CID 120867772
1-(4-chloroquinazolin-2-yl)-N-methylpropan-2-amine
CID 105497225
5-phenyl-3-[6-[6-(5-phenyl-1,2,4-triazin-3-yl)-2-pyridinyl]-2-pyridinyl]-1,2,4-triazine
CID 146551238
1-[5-(4-fluorophenyl)-1,2,4-triazin-3-yl]-N-methylethanamine
CID 105490793

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(5-phenyl-1,2,4-triazin-3-yl)propan-2-amine?
The IUPAC name of N-methyl-1-(5-phenyl-1,2,4-triazin-3-yl)propan-2-amine (CID 105485925) is N-methyl-1-(5-phenyl-1,2,4-triazin-3-yl)propan-2-amine.
What is the SMILES notation for N-methyl-1-(5-phenyl-1,2,4-triazin-3-yl)propan-2-amine?
The canonical SMILES for N-methyl-1-(5-phenyl-1,2,4-triazin-3-yl)propan-2-amine is CNC(C)Cc1nncc(-c2ccccc2)n1.
What is the InChIKey of N-methyl-1-(5-phenyl-1,2,4-triazin-3-yl)propan-2-amine?
The InChIKey is DKRRWNXJYONAJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4/c1-10(14-2)8-13-16-12(9-15-17-13)11-6-4-3-5-7-11/h3-7,9-10,14H,8H2,1-2H3.
What are the key properties of N-methyl-1-(5-phenyl-1,2,4-triazin-3-yl)propan-2-amine?
N-methyl-1-(5-phenyl-1,2,4-triazin-3-yl)propan-2-amine has a molecular weight of 228.30 g/mol, XLogP of 1.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(5-phenyl-1,2,4-triazin-3-yl)propan-2-amine is sourced from PubChem (CID 105485925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).