6-(2,3-dichlorophenyl)-3-imino-2-prop-2-enyl-1,2,4-triazin-5-amine

C12H11Cl2N5 — CID 24771276

IUPAC6-(2,3-dichlorophenyl)-3-imino-2-prop-2-enyl-1,2,4-triazin-5-amine
SMILES[H]/N=c1\nc(N)c(-c2cccc(Cl)c2Cl)nn1CC=C
InChIInChI=1S/C12H11Cl2N5/c1-2-6-19-12(16)17-11(15)10(18-19)7-4-3-5-8(13)9(7)14/h2-5H,1,6H2,(H3,15,16,17)
InChIKeyIYPICUONXQQCLF-UHFFFAOYSA-N
MW296.16 g/mol
LogP2.50
Rot. Bonds3

About 6-(2,3-dichlorophenyl)-3-imino-2-prop-2-enyl-1,2,4-triazin-5-amine

6-(2,3-dichlorophenyl)-3-imino-2-prop-2-enyl-1,2,4-triazin-5-amine (PubChem CID 24771276) has the molecular formula C12H11Cl2N5 and a molecular weight of 296.16 g/mol. Its IUPAC name is 6-(2,3-dichlorophenyl)-3-imino-2-prop-2-enyl-1,2,4-triazin-5-amine.

Molecular Properties

Compound Name6-(2,3-dichlorophenyl)-3-imino-2-prop-2-enyl-1,2,4-triazin-5-amine
PubChem CID24771276
Molecular FormulaC12H11Cl2N5
Molecular Weight296.16 g/mol
Exact Mass295.04
IUPAC Name6-(2,3-dichlorophenyl)-3-imino-2-prop-2-enyl-1,2,4-triazin-5-amine
SMILES[H]/N=c1\nc(N)c(-c2cccc(Cl)c2Cl)nn1CC=C
InChIInChI=1S/C12H11Cl2N5/c1-2-6-19-12(16)17-11(15)10(18-19)7-4-3-5-8(13)9(7)14/h2-5H,1,6H2,(H3,15,16,17)
InChIKeyIYPICUONXQQCLF-UHFFFAOYSA-N
XLogP2.50
TPSA80.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.16
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(2,3-dichlorophenyl)-3-imino-2-prop-2-enyl-1,2,4-triazin-5-amine?
The IUPAC name of 6-(2,3-dichlorophenyl)-3-imino-2-prop-2-enyl-1,2,4-triazin-5-amine (CID 24771276) is 6-(2,3-dichlorophenyl)-3-imino-2-prop-2-enyl-1,2,4-triazin-5-amine.
What is the SMILES notation for 6-(2,3-dichlorophenyl)-3-imino-2-prop-2-enyl-1,2,4-triazin-5-amine?
The canonical SMILES for 6-(2,3-dichlorophenyl)-3-imino-2-prop-2-enyl-1,2,4-triazin-5-amine is [H]/N=c1\nc(N)c(-c2cccc(Cl)c2Cl)nn1CC=C.
What is the InChIKey of 6-(2,3-dichlorophenyl)-3-imino-2-prop-2-enyl-1,2,4-triazin-5-amine?
The InChIKey is IYPICUONXQQCLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Cl2N5/c1-2-6-19-12(16)17-11(15)10(18-19)7-4-3-5-8(13)9(7)14/h2-5H,1,6H2,(H3,15,16,17).
What are the key properties of 6-(2,3-dichlorophenyl)-3-imino-2-prop-2-enyl-1,2,4-triazin-5-amine?
6-(2,3-dichlorophenyl)-3-imino-2-prop-2-enyl-1,2,4-triazin-5-amine has a molecular weight of 296.16 g/mol, XLogP of 2.50, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,3-dichlorophenyl)-3-imino-2-prop-2-enyl-1,2,4-triazin-5-amine is sourced from PubChem (CID 24771276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).