N-methyl-6-(4-propylphenyl)-1,2,4-triazin-5-amine

C13H16N4 — CID 116823140

IUPACN-methyl-6-(4-propylphenyl)-1,2,4-triazin-5-amine
SMILESCCCc1ccc(-c2nncnc2NC)cc1
InChIInChI=1S/C13H16N4/c1-3-4-10-5-7-11(8-6-10)12-13(14-2)15-9-16-17-12/h5-9H,3-4H2,1-2H3,(H,14,15,16)
InChIKeyUDBJYEWSXFCIRP-UHFFFAOYSA-N
MW228.30 g/mol
LogP2.53
Rot. Bonds4

About N-methyl-6-(4-propylphenyl)-1,2,4-triazin-5-amine

N-methyl-6-(4-propylphenyl)-1,2,4-triazin-5-amine (PubChem CID 116823140) has the molecular formula C13H16N4 and a molecular weight of 228.30 g/mol. Its IUPAC name is N-methyl-6-(4-propylphenyl)-1,2,4-triazin-5-amine.

Molecular Properties

Compound NameN-methyl-6-(4-propylphenyl)-1,2,4-triazin-5-amine
PubChem CID116823140
Molecular FormulaC13H16N4
Molecular Weight228.30 g/mol
Exact Mass228.14
IUPAC NameN-methyl-6-(4-propylphenyl)-1,2,4-triazin-5-amine
SMILESCCCc1ccc(-c2nncnc2NC)cc1
InChIInChI=1S/C13H16N4/c1-3-4-10-5-7-11(8-6-10)12-13(14-2)15-9-16-17-12/h5-9H,3-4H2,1-2H3,(H,14,15,16)
InChIKeyUDBJYEWSXFCIRP-UHFFFAOYSA-N
XLogP2.53
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 ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-methyl-6-(4-propylphenyl)-1,2,4-triazin-5-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-methyl-6-(4-methylphenyl)-1,2,4-triazin-5-amine
CID 116823117
6-(3,4-difluorophenyl)-N-methyl-1,2,4-triazin-5-amine
CID 116823159
6-(3-chloro-4-ethoxyphenyl)-N-methyl-1,2,4-triazin-5-amine
CID 116823171
5-ethyl-N-methyl-6-(4-propylphenoxy)pyrimidin-4-amine
CID 80880121
6-(4-ethylphenyl)-N,3-dimethyl-1,2,4-triazin-5-amine
CID 116823552
N-methyl-6-(3-methylthiophen-2-yl)-1,2,4-triazin-5-amine
CID 116823253
3-(4-propylphenyl)-1H-pyrazine-2-thione
CID 106517221
N-methyl-6-(2,3,5,6-tetramethylphenyl)-1,2,4-triazin-5-amine
CID 116823157
1-propyl-4-[(4-propylphenyl)methyl]benzene
CID 4064340
5-(4-propylphenyl)pyrimidine
CID 89220429
[3-(4-propylphenyl)pyrazin-2-yl]methanamine
CID 82473726
2-(methylamino)-6-(4-propylphenyl)pyridine-3-carboxylic acid
CID 82123790

Frequently Asked Questions

What is the IUPAC name of N-methyl-6-(4-propylphenyl)-1,2,4-triazin-5-amine?
The IUPAC name of N-methyl-6-(4-propylphenyl)-1,2,4-triazin-5-amine (CID 116823140) is N-methyl-6-(4-propylphenyl)-1,2,4-triazin-5-amine.
What is the SMILES notation for N-methyl-6-(4-propylphenyl)-1,2,4-triazin-5-amine?
The canonical SMILES for N-methyl-6-(4-propylphenyl)-1,2,4-triazin-5-amine is CCCc1ccc(-c2nncnc2NC)cc1.
What is the InChIKey of N-methyl-6-(4-propylphenyl)-1,2,4-triazin-5-amine?
The InChIKey is UDBJYEWSXFCIRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4/c1-3-4-10-5-7-11(8-6-10)12-13(14-2)15-9-16-17-12/h5-9H,3-4H2,1-2H3,(H,14,15,16).
What are the key properties of N-methyl-6-(4-propylphenyl)-1,2,4-triazin-5-amine?
N-methyl-6-(4-propylphenyl)-1,2,4-triazin-5-amine has a molecular weight of 228.30 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-(4-propylphenyl)-1,2,4-triazin-5-amine is sourced from PubChem (CID 116823140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).