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

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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).