3-N-methyl-5-N-(2-methylphenyl)-3-N-phenyl-1,2,4-triazine-3,5-diamine

C17H17N5 — CID 112961740

IUPAC3-N-methyl-5-N-(2-methylphenyl)-3-N-phenyl-1,2,4-triazine-3,5-diamine
SMILESCc1ccccc1Nc1cnnc(N(C)c2ccccc2)n1
InChIInChI=1S/C17H17N5/c1-13-8-6-7-11-15(13)19-16-12-18-21-17(20-16)22(2)14-9-4-3-5-10-14/h3-12H,1-2H3,(H,19,20,21)
InChIKeyCIXSFFKAVQFXMA-UHFFFAOYSA-N
MW291.36 g/mol
LogP3.69
Rot. Bonds4

About 3-N-methyl-5-N-(2-methylphenyl)-3-N-phenyl-1,2,4-triazine-3,5-diamine

3-N-methyl-5-N-(2-methylphenyl)-3-N-phenyl-1,2,4-triazine-3,5-diamine (PubChem CID 112961740) has the molecular formula C17H17N5 and a molecular weight of 291.36 g/mol. Its IUPAC name is 3-N-methyl-5-N-(2-methylphenyl)-3-N-phenyl-1,2,4-triazine-3,5-diamine.

Molecular Properties

Compound Name3-N-methyl-5-N-(2-methylphenyl)-3-N-phenyl-1,2,4-triazine-3,5-diamine
PubChem CID112961740
Molecular FormulaC17H17N5
Molecular Weight291.36 g/mol
Exact Mass291.15
IUPAC Name3-N-methyl-5-N-(2-methylphenyl)-3-N-phenyl-1,2,4-triazine-3,5-diamine
SMILESCc1ccccc1Nc1cnnc(N(C)c2ccccc2)n1
InChIInChI=1S/C17H17N5/c1-13-8-6-7-11-15(13)19-16-12-18-21-17(20-16)22(2)14-9-4-3-5-10-14/h3-12H,1-2H3,(H,19,20,21)
InChIKeyCIXSFFKAVQFXMA-UHFFFAOYSA-N
XLogP3.69
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.36
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-N-methyl-5-N-(2-methylphenyl)-3-N-phenyl-1,2,4-triazine-3,5-diamine 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

5-N-(2,4-dimethylphenyl)-3-N-methyl-3-N-phenyl-1,2,4-triazine-3,5-diamine
CID 112962462
ethyl 2-[[3-(N-methylanilino)-1,2,4-triazin-5-yl]amino]benzoate
CID 112962552
5-N-(2,6-dichlorophenyl)-3-N-methyl-3-N-phenyl-1,2,4-triazine-3,5-diamine
CID 112962547
5-N-tert-butyl-3-N-methyl-3-N-phenyl-1,2,4-triazine-3,5-diamine
CID 112958907
3-N-methyl-5-N-(2-methylphenyl)-3-N-(2-pyridin-4-ylethyl)-1,2,4-triazine-3,5-diamine
CID 112954720
3-N-benzyl-5-N-(2-ethoxyphenyl)-3-N-phenyl-1,2,4-triazine-3,5-diamine
CID 112967482
2-N-methyl-4-N-(2-methylphenyl)-2-N-phenylquinazoline-2,4-diamine;hydrochloride
CID 67925962
5-N-[(4-fluorophenyl)methyl]-3-N-methyl-3-N-phenyl-1,2,4-triazine-3,5-diamine
CID 112949922
5-N-[2-(4-chlorophenyl)ethyl]-3-N-methyl-3-N-phenyl-1,2,4-triazine-3,5-diamine
CID 112956125
4-N-[4-(diethylamino)-2-methylphenyl]-2-N-methyl-2-N-phenylpyrimidine-2,4-diamine
CID 112902163
3-N-(1,1-dioxothiolan-3-yl)-3-N-ethyl-5-N-(2-methylphenyl)-1,2,4-triazine-3,5-diamine
CID 112956789
3-N-(5-methyl-1,2-oxazol-3-yl)-5-N-(2-methylphenyl)-1,2,4-triazine-3,5-diamine
CID 112961841

Frequently Asked Questions

What is the IUPAC name of 3-N-methyl-5-N-(2-methylphenyl)-3-N-phenyl-1,2,4-triazine-3,5-diamine?
The IUPAC name of 3-N-methyl-5-N-(2-methylphenyl)-3-N-phenyl-1,2,4-triazine-3,5-diamine (CID 112961740) is 3-N-methyl-5-N-(2-methylphenyl)-3-N-phenyl-1,2,4-triazine-3,5-diamine.
What is the SMILES notation for 3-N-methyl-5-N-(2-methylphenyl)-3-N-phenyl-1,2,4-triazine-3,5-diamine?
The canonical SMILES for 3-N-methyl-5-N-(2-methylphenyl)-3-N-phenyl-1,2,4-triazine-3,5-diamine is Cc1ccccc1Nc1cnnc(N(C)c2ccccc2)n1.
What is the InChIKey of 3-N-methyl-5-N-(2-methylphenyl)-3-N-phenyl-1,2,4-triazine-3,5-diamine?
The InChIKey is CIXSFFKAVQFXMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5/c1-13-8-6-7-11-15(13)19-16-12-18-21-17(20-16)22(2)14-9-4-3-5-10-14/h3-12H,1-2H3,(H,19,20,21).
What are the key properties of 3-N-methyl-5-N-(2-methylphenyl)-3-N-phenyl-1,2,4-triazine-3,5-diamine?
3-N-methyl-5-N-(2-methylphenyl)-3-N-phenyl-1,2,4-triazine-3,5-diamine has a molecular weight of 291.36 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-methyl-5-N-(2-methylphenyl)-3-N-phenyl-1,2,4-triazine-3,5-diamine is sourced from PubChem (CID 112961740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).