N-(5-ethenyltriazin-4-yl)prop-2-en-1-imine

C8H8N4 — CID 123742708

IUPACN-(5-ethenyltriazin-4-yl)prop-2-en-1-imine
SMILESC=C/C=N/c1nnncc1C=C
InChIInChI=1S/C8H8N4/c1-3-5-9-8-7(4-2)6-10-12-11-8/h3-6H,1-2H2/b9-5+
InChIKeyPKQUGGXNDJLYIF-WEVVVXLNSA-N
MW160.18 g/mol
LogP1.40
Rot. Bonds3

About N-(5-ethenyltriazin-4-yl)prop-2-en-1-imine

N-(5-ethenyltriazin-4-yl)prop-2-en-1-imine (PubChem CID 123742708) has the molecular formula C8H8N4 and a molecular weight of 160.18 g/mol. Its IUPAC name is N-(5-ethenyltriazin-4-yl)prop-2-en-1-imine.

Molecular Properties

Compound NameN-(5-ethenyltriazin-4-yl)prop-2-en-1-imine
PubChem CID123742708
Molecular FormulaC8H8N4
Molecular Weight160.18 g/mol
Exact Mass160.07
IUPAC NameN-(5-ethenyltriazin-4-yl)prop-2-en-1-imine
SMILESC=C/C=N/c1nnncc1C=C
InChIInChI=1S/C8H8N4/c1-3-5-9-8-7(4-2)6-10-12-11-8/h3-6H,1-2H2/b9-5+
InChIKeyPKQUGGXNDJLYIF-WEVVVXLNSA-N
XLogP1.40
TPSA51.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.18
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-(5-ethenyltriazin-4-yl)prop-2-en-1-imine?
The IUPAC name of N-(5-ethenyltriazin-4-yl)prop-2-en-1-imine (CID 123742708) is N-(5-ethenyltriazin-4-yl)prop-2-en-1-imine.
What is the SMILES notation for N-(5-ethenyltriazin-4-yl)prop-2-en-1-imine?
The canonical SMILES for N-(5-ethenyltriazin-4-yl)prop-2-en-1-imine is C=C/C=N/c1nnncc1C=C.
What is the InChIKey of N-(5-ethenyltriazin-4-yl)prop-2-en-1-imine?
The InChIKey is PKQUGGXNDJLYIF-WEVVVXLNSA-N. The full InChI is InChI=1S/C8H8N4/c1-3-5-9-8-7(4-2)6-10-12-11-8/h3-6H,1-2H2/b9-5+.
What are the key properties of N-(5-ethenyltriazin-4-yl)prop-2-en-1-imine?
N-(5-ethenyltriazin-4-yl)prop-2-en-1-imine has a molecular weight of 160.18 g/mol, XLogP of 1.40, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethenyltriazin-4-yl)prop-2-en-1-imine is sourced from PubChem (CID 123742708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).