N-methyl-3-prop-2-enylidenepyridazin-4-imine

C8H9N3 — CID 123739571

IUPACN-methyl-3-prop-2-enylidenepyridazin-4-imine
SMILESC=CC=C1N=NC=C/C1=N\C
InChIInChI=1S/C8H9N3/c1-3-4-8-7(9-2)5-6-10-11-8/h3-6H,1H2,2H3/b8-4?,9-7+
InChIKeyZZVSFYSJZBNESR-PUWXTNMLSA-N
MW147.18 g/mol
LogP2.11
Rot. Bonds1

About N-methyl-3-prop-2-enylidenepyridazin-4-imine

N-methyl-3-prop-2-enylidenepyridazin-4-imine (PubChem CID 123739571) has the molecular formula C8H9N3 and a molecular weight of 147.18 g/mol. Its IUPAC name is N-methyl-3-prop-2-enylidenepyridazin-4-imine.

Molecular Properties

Compound NameN-methyl-3-prop-2-enylidenepyridazin-4-imine
PubChem CID123739571
Molecular FormulaC8H9N3
Molecular Weight147.18 g/mol
Exact Mass147.08
IUPAC NameN-methyl-3-prop-2-enylidenepyridazin-4-imine
SMILESC=CC=C1N=NC=C/C1=N\C
InChIInChI=1S/C8H9N3/c1-3-4-8-7(9-2)5-6-10-11-8/h3-6H,1H2,2H3/b8-4?,9-7+
InChIKeyZZVSFYSJZBNESR-PUWXTNMLSA-N
XLogP2.11
TPSA37.08 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.18
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-methyl-3-prop-2-enylidenepyridazin-4-imine?
The IUPAC name of N-methyl-3-prop-2-enylidenepyridazin-4-imine (CID 123739571) is N-methyl-3-prop-2-enylidenepyridazin-4-imine.
What is the SMILES notation for N-methyl-3-prop-2-enylidenepyridazin-4-imine?
The canonical SMILES for N-methyl-3-prop-2-enylidenepyridazin-4-imine is C=CC=C1N=NC=C/C1=N\C.
What is the InChIKey of N-methyl-3-prop-2-enylidenepyridazin-4-imine?
The InChIKey is ZZVSFYSJZBNESR-PUWXTNMLSA-N. The full InChI is InChI=1S/C8H9N3/c1-3-4-8-7(9-2)5-6-10-11-8/h3-6H,1H2,2H3/b8-4?,9-7+.
What are the key properties of N-methyl-3-prop-2-enylidenepyridazin-4-imine?
N-methyl-3-prop-2-enylidenepyridazin-4-imine has a molecular weight of 147.18 g/mol, XLogP of 2.11, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-prop-2-enylidenepyridazin-4-imine is sourced from PubChem (CID 123739571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).