(5Z)-N-methyl-5-[(Z)-pent-2-enylidene]pyridazin-4-imine

C10H13N3 — CID 143253470

IUPAC(5Z)-N-methyl-5-[(Z)-pent-2-enylidene]pyridazin-4-imine
SMILESCC/C=C\C=C1\C=NN=C\C1=N/C
InChIInChI=1S/C10H13N3/c1-3-4-5-6-9-7-12-13-8-10(9)11-2/h4-8H,3H2,1-2H3/b5-4-,9-6-,11-10+
InChIKeyXOUCGVAKRGGFIL-OTYREMFYSA-N
MW175.23 g/mol
LogP2.02
Rot. Bonds2

About (5Z)-N-methyl-5-[(Z)-pent-2-enylidene]pyridazin-4-imine

(5Z)-N-methyl-5-[(Z)-pent-2-enylidene]pyridazin-4-imine (PubChem CID 143253470) has the molecular formula C10H13N3 and a molecular weight of 175.23 g/mol. Its IUPAC name is (5Z)-N-methyl-5-[(Z)-pent-2-enylidene]pyridazin-4-imine.

Molecular Properties

Compound Name(5Z)-N-methyl-5-[(Z)-pent-2-enylidene]pyridazin-4-imine
PubChem CID143253470
Molecular FormulaC10H13N3
Molecular Weight175.23 g/mol
Exact Mass175.11
IUPAC Name(5Z)-N-methyl-5-[(Z)-pent-2-enylidene]pyridazin-4-imine
SMILESCC/C=C\C=C1\C=NN=C\C1=N/C
InChIInChI=1S/C10H13N3/c1-3-4-5-6-9-7-12-13-8-10(9)11-2/h4-8H,3H2,1-2H3/b5-4-,9-6-,11-10+
InChIKeyXOUCGVAKRGGFIL-OTYREMFYSA-N
XLogP2.02
TPSA37.08 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 52.02
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

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lithium N-tert-butyl-1-[3-(tert-butyliminomethyl)benzene-2-id-1-yl]methanimine
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N-methyl-4-methylidenecyclohexa-2,5-dien-1-imine
CID 12561442
N-methyl-6-methylidenecyclohexa-2,4-dien-1-imine
CID 21859815
1-N,2-N,4-trimethylcyclohexa-3,5-diene-1,2-diimine
CID 53921814
1-phenyl-N-propylmethanimine;yttrium
CID 58003847
4-methylidene-N-(methylideneamino)cyclohexa-2,5-dien-1-imine
CID 58814570

Frequently Asked Questions

What is the IUPAC name of (5Z)-N-methyl-5-[(Z)-pent-2-enylidene]pyridazin-4-imine?
The IUPAC name of (5Z)-N-methyl-5-[(Z)-pent-2-enylidene]pyridazin-4-imine (CID 143253470) is (5Z)-N-methyl-5-[(Z)-pent-2-enylidene]pyridazin-4-imine.
What is the SMILES notation for (5Z)-N-methyl-5-[(Z)-pent-2-enylidene]pyridazin-4-imine?
The canonical SMILES for (5Z)-N-methyl-5-[(Z)-pent-2-enylidene]pyridazin-4-imine is CC/C=C\C=C1\C=NN=C\C1=N/C.
What is the InChIKey of (5Z)-N-methyl-5-[(Z)-pent-2-enylidene]pyridazin-4-imine?
The InChIKey is XOUCGVAKRGGFIL-OTYREMFYSA-N. The full InChI is InChI=1S/C10H13N3/c1-3-4-5-6-9-7-12-13-8-10(9)11-2/h4-8H,3H2,1-2H3/b5-4-,9-6-,11-10+.
What are the key properties of (5Z)-N-methyl-5-[(Z)-pent-2-enylidene]pyridazin-4-imine?
(5Z)-N-methyl-5-[(Z)-pent-2-enylidene]pyridazin-4-imine has a molecular weight of 175.23 g/mol, XLogP of 2.02, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-N-methyl-5-[(Z)-pent-2-enylidene]pyridazin-4-imine is sourced from PubChem (CID 143253470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).