1-(1,3,5-triazin-2-yl)-1H-phenalen-2-amine

C16H12N4 — CID 70310741

IUPAC1-(1,3,5-triazin-2-yl)-1H-phenalen-2-amine
SMILESNC1=Cc2cccc3cccc(c23)C1c1ncncn1
InChIInChI=1S/C16H12N4/c17-13-7-11-5-1-3-10-4-2-6-12(14(10)11)15(13)16-19-8-18-9-20-16/h1-9,15H,17H2
InChIKeyFSZUSUWSWGMMLE-UHFFFAOYSA-N
MW260.30 g/mol
LogP2.47
Rot. Bonds1

About 1-(1,3,5-triazin-2-yl)-1H-phenalen-2-amine

1-(1,3,5-triazin-2-yl)-1H-phenalen-2-amine (PubChem CID 70310741) has the molecular formula C16H12N4 and a molecular weight of 260.30 g/mol. Its IUPAC name is 1-(1,3,5-triazin-2-yl)-1H-phenalen-2-amine.

Molecular Properties

Compound Name1-(1,3,5-triazin-2-yl)-1H-phenalen-2-amine
PubChem CID70310741
Molecular FormulaC16H12N4
Molecular Weight260.30 g/mol
Exact Mass260.11
IUPAC Name1-(1,3,5-triazin-2-yl)-1H-phenalen-2-amine
SMILESNC1=Cc2cccc3cccc(c23)C1c1ncncn1
InChIInChI=1S/C16H12N4/c17-13-7-11-5-1-3-10-4-2-6-12(14(10)11)15(13)16-19-8-18-9-20-16/h1-9,15H,17H2
InChIKeyFSZUSUWSWGMMLE-UHFFFAOYSA-N
XLogP2.47
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1,3,5-triazin-2-yl)-1H-phenalen-2-amine?
The IUPAC name of 1-(1,3,5-triazin-2-yl)-1H-phenalen-2-amine (CID 70310741) is 1-(1,3,5-triazin-2-yl)-1H-phenalen-2-amine.
What is the SMILES notation for 1-(1,3,5-triazin-2-yl)-1H-phenalen-2-amine?
The canonical SMILES for 1-(1,3,5-triazin-2-yl)-1H-phenalen-2-amine is NC1=Cc2cccc3cccc(c23)C1c1ncncn1.
What is the InChIKey of 1-(1,3,5-triazin-2-yl)-1H-phenalen-2-amine?
The InChIKey is FSZUSUWSWGMMLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4/c17-13-7-11-5-1-3-10-4-2-6-12(14(10)11)15(13)16-19-8-18-9-20-16/h1-9,15H,17H2.
What are the key properties of 1-(1,3,5-triazin-2-yl)-1H-phenalen-2-amine?
1-(1,3,5-triazin-2-yl)-1H-phenalen-2-amine has a molecular weight of 260.30 g/mol, XLogP of 2.47, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3,5-triazin-2-yl)-1H-phenalen-2-amine is sourced from PubChem (CID 70310741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).