3-[2-(4,6-dianilino-1,3,5-triazin-2-yl)hydrazinyl]prop-2-ene-1,2-diol

C18H19N7O2 — CID 4534138

IUPAC3-[2-(4,6-dianilino-1,3,5-triazin-2-yl)hydrazinyl]prop-2-ene-1,2-diol
SMILESOCC(O)=CNNc1nc(Nc2ccccc2)nc(Nc2ccccc2)n1
InChIInChI=1S/C18H19N7O2/c26-12-15(27)11-19-25-18-23-16(20-13-7-3-1-4-8-13)22-17(24-18)21-14-9-5-2-6-10-14/h1-11,19,26-27H,12H2,(H3,20,21,22,23,24,25)
InChIKeyINPXRXBINKVAJA-UHFFFAOYSA-N
MW365.40 g/mol
LogP2.67
Rot. Bonds8

About 3-[2-(4,6-dianilino-1,3,5-triazin-2-yl)hydrazinyl]prop-2-ene-1,2-diol

3-[2-(4,6-dianilino-1,3,5-triazin-2-yl)hydrazinyl]prop-2-ene-1,2-diol (PubChem CID 4534138) has the molecular formula C18H19N7O2 and a molecular weight of 365.40 g/mol. Its IUPAC name is 3-[2-(4,6-dianilino-1,3,5-triazin-2-yl)hydrazinyl]prop-2-ene-1,2-diol.

Molecular Properties

Compound Name3-[2-(4,6-dianilino-1,3,5-triazin-2-yl)hydrazinyl]prop-2-ene-1,2-diol
PubChem CID4534138
Molecular FormulaC18H19N7O2
Molecular Weight365.40 g/mol
Exact Mass365.16
IUPAC Name3-[2-(4,6-dianilino-1,3,5-triazin-2-yl)hydrazinyl]prop-2-ene-1,2-diol
SMILESOCC(O)=CNNc1nc(Nc2ccccc2)nc(Nc2ccccc2)n1
InChIInChI=1S/C18H19N7O2/c26-12-15(27)11-19-25-18-23-16(20-13-7-3-1-4-8-13)22-17(24-18)21-14-9-5-2-6-10-14/h1-11,19,26-27H,12H2,(H3,20,21,22,23,24,25)
InChIKeyINPXRXBINKVAJA-UHFFFAOYSA-N
XLogP2.67
TPSA127.25 Ų
H-Bond Donors6
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.40
LogP ≤ 52.67
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(4,6-dianilino-1,3,5-triazin-2-yl)hydrazinyl]prop-2-ene-1,2-diol?
The IUPAC name of 3-[2-(4,6-dianilino-1,3,5-triazin-2-yl)hydrazinyl]prop-2-ene-1,2-diol (CID 4534138) is 3-[2-(4,6-dianilino-1,3,5-triazin-2-yl)hydrazinyl]prop-2-ene-1,2-diol.
What is the SMILES notation for 3-[2-(4,6-dianilino-1,3,5-triazin-2-yl)hydrazinyl]prop-2-ene-1,2-diol?
The canonical SMILES for 3-[2-(4,6-dianilino-1,3,5-triazin-2-yl)hydrazinyl]prop-2-ene-1,2-diol is OCC(O)=CNNc1nc(Nc2ccccc2)nc(Nc2ccccc2)n1.
What is the InChIKey of 3-[2-(4,6-dianilino-1,3,5-triazin-2-yl)hydrazinyl]prop-2-ene-1,2-diol?
The InChIKey is INPXRXBINKVAJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N7O2/c26-12-15(27)11-19-25-18-23-16(20-13-7-3-1-4-8-13)22-17(24-18)21-14-9-5-2-6-10-14/h1-11,19,26-27H,12H2,(H3,20,21,22,23,24,25).
What are the key properties of 3-[2-(4,6-dianilino-1,3,5-triazin-2-yl)hydrazinyl]prop-2-ene-1,2-diol?
3-[2-(4,6-dianilino-1,3,5-triazin-2-yl)hydrazinyl]prop-2-ene-1,2-diol has a molecular weight of 365.40 g/mol, XLogP of 2.67, 8 rotatable bonds, 6 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4,6-dianilino-1,3,5-triazin-2-yl)hydrazinyl]prop-2-ene-1,2-diol is sourced from PubChem (CID 4534138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).