N-ethyl-N,2,5-trimethyl-6-methylimino-1,2-dihydro-1,3,5-triazin-4-amine

C9H19N5 — CID 136590874

IUPACN-ethyl-N,2,5-trimethyl-6-methylimino-1,2-dihydro-1,3,5-triazin-4-amine
SMILESCCN(C)C1=NC(C)N/C(=N\C)N1C
InChIInChI=1S/C9H19N5/c1-6-13(4)9-12-7(2)11-8(10-3)14(9)5/h7H,6H2,1-5H3,(H,10,11)
InChIKeyMKEQYXOAYASDGS-UHFFFAOYSA-N
MW197.29 g/mol
LogP0.16
Rot. Bonds1

About N-ethyl-N,2,5-trimethyl-6-methylimino-1,2-dihydro-1,3,5-triazin-4-amine

N-ethyl-N,2,5-trimethyl-6-methylimino-1,2-dihydro-1,3,5-triazin-4-amine (PubChem CID 136590874) has the molecular formula C9H19N5 and a molecular weight of 197.29 g/mol. Its IUPAC name is N-ethyl-N,2,5-trimethyl-6-methylimino-1,2-dihydro-1,3,5-triazin-4-amine.

Molecular Properties

Compound NameN-ethyl-N,2,5-trimethyl-6-methylimino-1,2-dihydro-1,3,5-triazin-4-amine
PubChem CID136590874
Molecular FormulaC9H19N5
Molecular Weight197.29 g/mol
Exact Mass197.16
IUPAC NameN-ethyl-N,2,5-trimethyl-6-methylimino-1,2-dihydro-1,3,5-triazin-4-amine
SMILESCCN(C)C1=NC(C)N/C(=N\C)N1C
InChIInChI=1S/C9H19N5/c1-6-13(4)9-12-7(2)11-8(10-3)14(9)5/h7H,6H2,1-5H3,(H,10,11)
InChIKeyMKEQYXOAYASDGS-UHFFFAOYSA-N
XLogP0.16
TPSA43.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.29
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N,2,5-trimethyl-6-methylimino-1,2-dihydro-1,3,5-triazin-4-amine?
The IUPAC name of N-ethyl-N,2,5-trimethyl-6-methylimino-1,2-dihydro-1,3,5-triazin-4-amine (CID 136590874) is N-ethyl-N,2,5-trimethyl-6-methylimino-1,2-dihydro-1,3,5-triazin-4-amine.
What is the SMILES notation for N-ethyl-N,2,5-trimethyl-6-methylimino-1,2-dihydro-1,3,5-triazin-4-amine?
The canonical SMILES for N-ethyl-N,2,5-trimethyl-6-methylimino-1,2-dihydro-1,3,5-triazin-4-amine is CCN(C)C1=NC(C)N/C(=N\C)N1C.
What is the InChIKey of N-ethyl-N,2,5-trimethyl-6-methylimino-1,2-dihydro-1,3,5-triazin-4-amine?
The InChIKey is MKEQYXOAYASDGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N5/c1-6-13(4)9-12-7(2)11-8(10-3)14(9)5/h7H,6H2,1-5H3,(H,10,11).
What are the key properties of N-ethyl-N,2,5-trimethyl-6-methylimino-1,2-dihydro-1,3,5-triazin-4-amine?
N-ethyl-N,2,5-trimethyl-6-methylimino-1,2-dihydro-1,3,5-triazin-4-amine has a molecular weight of 197.29 g/mol, XLogP of 0.16, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N,2,5-trimethyl-6-methylimino-1,2-dihydro-1,3,5-triazin-4-amine is sourced from PubChem (CID 136590874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).