4-[(E)-2-phenylethenyl]-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine

C17H15N5 — CID 135587492

IUPAC4-[(E)-2-phenylethenyl]-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine
SMILESNC1=NC(/C=C/c2ccccc2)n2c(nc3ccccc32)N1
InChIInChI=1S/C17H15N5/c18-16-20-15(11-10-12-6-2-1-3-7-12)22-14-9-5-4-8-13(14)19-17(22)21-16/h1-11,15H,(H3,18,19,20,21)/b11-10+
InChIKeyYKEVULXNKMWCPY-ZHACJKMWSA-N
MW289.34 g/mol
LogP2.99
Rot. Bonds2

About 4-[(E)-2-phenylethenyl]-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine

4-[(E)-2-phenylethenyl]-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine (PubChem CID 135587492) has the molecular formula C17H15N5 and a molecular weight of 289.34 g/mol. Its IUPAC name is 4-[(E)-2-phenylethenyl]-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine.

Molecular Properties

Compound Name4-[(E)-2-phenylethenyl]-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine
PubChem CID135587492
Molecular FormulaC17H15N5
Molecular Weight289.34 g/mol
Exact Mass289.13
IUPAC Name4-[(E)-2-phenylethenyl]-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine
SMILESNC1=NC(/C=C/c2ccccc2)n2c(nc3ccccc32)N1
InChIInChI=1S/C17H15N5/c18-16-20-15(11-10-12-6-2-1-3-7-12)22-14-9-5-4-8-13(14)19-17(22)21-16/h1-11,15H,(H3,18,19,20,21)/b11-10+
InChIKeyYKEVULXNKMWCPY-ZHACJKMWSA-N
XLogP2.99
TPSA68.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-phenylethenyl]-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine?
The IUPAC name of 4-[(E)-2-phenylethenyl]-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine (CID 135587492) is 4-[(E)-2-phenylethenyl]-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine.
What is the SMILES notation for 4-[(E)-2-phenylethenyl]-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine?
The canonical SMILES for 4-[(E)-2-phenylethenyl]-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine is NC1=NC(/C=C/c2ccccc2)n2c(nc3ccccc32)N1.
What is the InChIKey of 4-[(E)-2-phenylethenyl]-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine?
The InChIKey is YKEVULXNKMWCPY-ZHACJKMWSA-N. The full InChI is InChI=1S/C17H15N5/c18-16-20-15(11-10-12-6-2-1-3-7-12)22-14-9-5-4-8-13(14)19-17(22)21-16/h1-11,15H,(H3,18,19,20,21)/b11-10+.
What are the key properties of 4-[(E)-2-phenylethenyl]-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine?
4-[(E)-2-phenylethenyl]-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine has a molecular weight of 289.34 g/mol, XLogP of 2.99, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-phenylethenyl]-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine is sourced from PubChem (CID 135587492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).