N-[(E)-benzylideneamino]-4-methyl-1,3,5-triazin-2-amine

C11H11N5 — CID 121223490

IUPACN-[(E)-benzylideneamino]-4-methyl-1,3,5-triazin-2-amine
SMILESCc1ncnc(N/N=C/c2ccccc2)n1
InChIInChI=1S/C11H11N5/c1-9-12-8-13-11(15-9)16-14-7-10-5-3-2-4-6-10/h2-8H,1H3,(H,12,13,15,16)/b14-7+
InChIKeyYUKVJGBEOXAVKV-VGOFMYFVSA-N
MW213.24 g/mol
LogP1.63
Rot. Bonds3

About N-[(E)-benzylideneamino]-4-methyl-1,3,5-triazin-2-amine

N-[(E)-benzylideneamino]-4-methyl-1,3,5-triazin-2-amine (PubChem CID 121223490) has the molecular formula C11H11N5 and a molecular weight of 213.24 g/mol. Its IUPAC name is N-[(E)-benzylideneamino]-4-methyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-[(E)-benzylideneamino]-4-methyl-1,3,5-triazin-2-amine
PubChem CID121223490
Molecular FormulaC11H11N5
Molecular Weight213.24 g/mol
Exact Mass213.10
IUPAC NameN-[(E)-benzylideneamino]-4-methyl-1,3,5-triazin-2-amine
SMILESCc1ncnc(N/N=C/c2ccccc2)n1
InChIInChI=1S/C11H11N5/c1-9-12-8-13-11(15-9)16-14-7-10-5-3-2-4-6-10/h2-8H,1H3,(H,12,13,15,16)/b14-7+
InChIKeyYUKVJGBEOXAVKV-VGOFMYFVSA-N
XLogP1.63
TPSA63.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-[(2E)-2-benzylidenehydrazinyl]-1-methyl-1,3,5-triazin-2-one
CID 121224099
N-(benzylideneamino)-4-(4-methylphenyl)-6-phenylpyrimidin-2-amine
CID 2842306
2-[(2E)-2-benzylidenehydrazinyl]pyrimidine-4-carboxylic acid
CID 127030290
N-(benzylideneamino)-4-pyridin-3-ylpyrimidin-2-amine
CID 2824458
2-N-[(Z)-benzylideneamino]-6-chloro-4-N-phenyl-1,3,5-triazine-2,4-diamine;ethane
CID 91073006
2-N,4-N-bis[(E)-(4-methylphenyl)methylideneamino]pyrimidine-2,4-diamine
CID 16736452
N-(benzylideneamino)isoquinolin-3-amine
CID 85439372
N-(benzylideneamino)-2-methylquinolin-8-amine
CID 171329102
3-benzyl-N-[(E)-benzylideneamino]quinoxalin-2-amine
CID 52949864
N-(benzylideneamino)-5,6-dimethyl-2-phenylpyrimidin-4-amine
CID 2842110
2-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-4-methylpyrimidin-5-ol
CID 137309685
4-(2,6-difluorophenyl)-N-[[4-(trifluoromethoxy)phenyl]methylideneamino]-1,3,5-triazin-2-amine
CID 174960191

Frequently Asked Questions

What is the IUPAC name of N-[(E)-benzylideneamino]-4-methyl-1,3,5-triazin-2-amine?
The IUPAC name of N-[(E)-benzylideneamino]-4-methyl-1,3,5-triazin-2-amine (CID 121223490) is N-[(E)-benzylideneamino]-4-methyl-1,3,5-triazin-2-amine.
What is the SMILES notation for N-[(E)-benzylideneamino]-4-methyl-1,3,5-triazin-2-amine?
The canonical SMILES for N-[(E)-benzylideneamino]-4-methyl-1,3,5-triazin-2-amine is Cc1ncnc(N/N=C/c2ccccc2)n1.
What is the InChIKey of N-[(E)-benzylideneamino]-4-methyl-1,3,5-triazin-2-amine?
The InChIKey is YUKVJGBEOXAVKV-VGOFMYFVSA-N. The full InChI is InChI=1S/C11H11N5/c1-9-12-8-13-11(15-9)16-14-7-10-5-3-2-4-6-10/h2-8H,1H3,(H,12,13,15,16)/b14-7+.
What are the key properties of N-[(E)-benzylideneamino]-4-methyl-1,3,5-triazin-2-amine?
N-[(E)-benzylideneamino]-4-methyl-1,3,5-triazin-2-amine has a molecular weight of 213.24 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-benzylideneamino]-4-methyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 121223490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).