N-methyl-3-(1,3,5-triazin-2-yl)aniline

C10H10N4 — CID 82468537

IUPACN-methyl-3-(1,3,5-triazin-2-yl)aniline
SMILESCNc1cccc(-c2ncncn2)c1
InChIInChI=1S/C10H10N4/c1-11-9-4-2-3-8(5-9)10-13-6-12-7-14-10/h2-7,11H,1H3
InChIKeyGSVPLCFBGLUNQW-UHFFFAOYSA-N
MW186.22 g/mol
LogP1.58
Rot. Bonds2

About N-methyl-3-(1,3,5-triazin-2-yl)aniline

N-methyl-3-(1,3,5-triazin-2-yl)aniline (PubChem CID 82468537) has the molecular formula C10H10N4 and a molecular weight of 186.22 g/mol. Its IUPAC name is N-methyl-3-(1,3,5-triazin-2-yl)aniline.

Molecular Properties

Compound NameN-methyl-3-(1,3,5-triazin-2-yl)aniline
PubChem CID82468537
Molecular FormulaC10H10N4
Molecular Weight186.22 g/mol
Exact Mass186.09
IUPAC NameN-methyl-3-(1,3,5-triazin-2-yl)aniline
SMILESCNc1cccc(-c2ncncn2)c1
InChIInChI=1S/C10H10N4/c1-11-9-4-2-3-8(5-9)10-13-6-12-7-14-10/h2-7,11H,1H3
InChIKeyGSVPLCFBGLUNQW-UHFFFAOYSA-N
XLogP1.58
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.22
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-methyl-3-(1,3,5-triazin-2-yl)aniline 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

2-N-(3-(trifluoromethyl)phenyl)-1,3,5-triazine-2,4-diamine
CID 704906
6-(Chloromethyl)-N~2~-(3-methylphenyl)-1,3,5-triazine-2,4-diamine
CID 936364
6-(trifluoromethyl)-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine
CID 690744
1-Methyl-3-[3-(2-methylpyrimidin-4-yl)phenyl]urea
CID 2819605
N-(3,4-dimethylphenyl)-1,3,5-triazine-2,4-diamine
CID 757465
N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-pyrimidin-2-ylaniline
CID 22493289
4-(Cyclopentylamino)-6-(m-tolylamino)-1,3,5-triazine-2-carbonitrile
CID 44459971
1-[4-[3-(Dimethylamino)phenyl]-1,3,5-triazin-2-yl]piperidine-4-carboxamide
CID 46907725
N-o-Tolyl-[1,3,5]triazine-2,4-diamine
CID 704942
N-p-Tolyl-[1,3,5]triazine-2,4-diamine
CID 704967
6-Phenylpyrimidin-4-amine
CID 817383
{4-Amino-6-[(4-methylphenyl)amino]-1,3,5-triazin-2-yl}acetonitrile
CID 1249242

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(1,3,5-triazin-2-yl)aniline?
The IUPAC name of N-methyl-3-(1,3,5-triazin-2-yl)aniline (CID 82468537) is N-methyl-3-(1,3,5-triazin-2-yl)aniline.
What is the SMILES notation for N-methyl-3-(1,3,5-triazin-2-yl)aniline?
The canonical SMILES for N-methyl-3-(1,3,5-triazin-2-yl)aniline is CNc1cccc(-c2ncncn2)c1.
What is the InChIKey of N-methyl-3-(1,3,5-triazin-2-yl)aniline?
The InChIKey is GSVPLCFBGLUNQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4/c1-11-9-4-2-3-8(5-9)10-13-6-12-7-14-10/h2-7,11H,1H3.
What are the key properties of N-methyl-3-(1,3,5-triazin-2-yl)aniline?
N-methyl-3-(1,3,5-triazin-2-yl)aniline has a molecular weight of 186.22 g/mol, XLogP of 1.58, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(1,3,5-triazin-2-yl)aniline is sourced from PubChem (CID 82468537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).