(5Z)-N-methyl-5-propylidenepyridazin-4-imine

C8H11N3 — CID 145233433

IUPAC(5Z)-N-methyl-5-propylidenepyridazin-4-imine
SMILESCC/C=C1/C=NN=C/C1=N\C
InChIInChI=1S/C8H11N3/c1-3-4-7-5-10-11-6-8(7)9-2/h4-6H,3H2,1-2H3/b7-4-,9-8+
InChIKeyIPGAJYXOKFHZME-NKUJDFQBSA-N
MW149.20 g/mol
LogP1.46
Rot. Bonds1

About (5Z)-N-methyl-5-propylidenepyridazin-4-imine

(5Z)-N-methyl-5-propylidenepyridazin-4-imine (PubChem CID 145233433) has the molecular formula C8H11N3 and a molecular weight of 149.20 g/mol. Its IUPAC name is (5Z)-N-methyl-5-propylidenepyridazin-4-imine.

Molecular Properties

Compound Name(5Z)-N-methyl-5-propylidenepyridazin-4-imine
PubChem CID145233433
Molecular FormulaC8H11N3
Molecular Weight149.20 g/mol
Exact Mass149.10
IUPAC Name(5Z)-N-methyl-5-propylidenepyridazin-4-imine
SMILESCC/C=C1/C=NN=C/C1=N\C
InChIInChI=1S/C8H11N3/c1-3-4-7-5-10-11-6-8(7)9-2/h4-6H,3H2,1-2H3/b7-4-,9-8+
InChIKeyIPGAJYXOKFHZME-NKUJDFQBSA-N
XLogP1.46
TPSA37.08 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.20
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

5,7-dimethyl-4H-diazepine
CID 14971606
(Z)-N-ethyl-3-methylpent-2-en-1-imine
CID 14919843
N-butyl-2H-pyridin-3-imine
CID 19388629
5-Methyl-2,3-dihydropyridine
CID 53854191
4-ethyl-3H-pyridin-1-ium
CID 57069591
5-methyl-3H-pyridin-1-ium
CID 57233424
5,6-Dimethyl-2,3-dihydropyridine
CID 57840662
(3R)-5-ethyl-3-methyl-2,3-dihydropyridine
CID 68164985
(3Z)-3-ethylidene-N-methylpyridin-4-imine
CID 68179744
5-Ethyl-2,3-dihydropyridine
CID 68387499
N-propan-2-yl-2H-pyridin-3-imine
CID 69530945
N-methyl-2H-pyridin-3-imine
CID 70547200

Frequently Asked Questions

What is the IUPAC name of (5Z)-N-methyl-5-propylidenepyridazin-4-imine?
The IUPAC name of (5Z)-N-methyl-5-propylidenepyridazin-4-imine (CID 145233433) is (5Z)-N-methyl-5-propylidenepyridazin-4-imine.
What is the SMILES notation for (5Z)-N-methyl-5-propylidenepyridazin-4-imine?
The canonical SMILES for (5Z)-N-methyl-5-propylidenepyridazin-4-imine is CC/C=C1/C=NN=C/C1=N\C.
What is the InChIKey of (5Z)-N-methyl-5-propylidenepyridazin-4-imine?
The InChIKey is IPGAJYXOKFHZME-NKUJDFQBSA-N. The full InChI is InChI=1S/C8H11N3/c1-3-4-7-5-10-11-6-8(7)9-2/h4-6H,3H2,1-2H3/b7-4-,9-8+.
What are the key properties of (5Z)-N-methyl-5-propylidenepyridazin-4-imine?
(5Z)-N-methyl-5-propylidenepyridazin-4-imine has a molecular weight of 149.20 g/mol, XLogP of 1.46, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-N-methyl-5-propylidenepyridazin-4-imine is sourced from PubChem (CID 145233433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).