(5Z)-5-[(Z)-4-methylpent-2-enylidene]pyridazin-4-imine

C10H13N3 — CID 87310176

IUPAC(5Z)-5-[(Z)-4-methylpent-2-enylidene]pyridazin-4-imine
SMILES[H]/N=C1\C=NN=C\C1=C\C=C/C(C)C
InChIInChI=1S/C10H13N3/c1-8(2)4-3-5-9-6-12-13-7-10(9)11/h3-8,11H,1-2H3/b4-3-,9-5-,11-10+
InChIKeyUDXUFJPXNMLLJN-KBUGIXQSSA-N
MW175.23 g/mol
LogP2.21
Rot. Bonds2

About (5Z)-5-[(Z)-4-methylpent-2-enylidene]pyridazin-4-imine

(5Z)-5-[(Z)-4-methylpent-2-enylidene]pyridazin-4-imine (PubChem CID 87310176) has the molecular formula C10H13N3 and a molecular weight of 175.23 g/mol. Its IUPAC name is (5Z)-5-[(Z)-4-methylpent-2-enylidene]pyridazin-4-imine.

Molecular Properties

Compound Name(5Z)-5-[(Z)-4-methylpent-2-enylidene]pyridazin-4-imine
PubChem CID87310176
Molecular FormulaC10H13N3
Molecular Weight175.23 g/mol
Exact Mass175.11
IUPAC Name(5Z)-5-[(Z)-4-methylpent-2-enylidene]pyridazin-4-imine
SMILES[H]/N=C1\C=NN=C\C1=C\C=C/C(C)C
InChIInChI=1S/C10H13N3/c1-8(2)4-3-5-9-6-12-13-7-10(9)11/h3-8,11H,1-2H3/b4-3-,9-5-,11-10+
InChIKeyUDXUFJPXNMLLJN-KBUGIXQSSA-N
XLogP2.21
TPSA48.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 52.21
H-Bond Donors ≤ 51
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 (5Z)-5-[(Z)-4-methylpent-2-enylidene]pyridazin-4-imine?
The IUPAC name of (5Z)-5-[(Z)-4-methylpent-2-enylidene]pyridazin-4-imine (CID 87310176) is (5Z)-5-[(Z)-4-methylpent-2-enylidene]pyridazin-4-imine.
What is the SMILES notation for (5Z)-5-[(Z)-4-methylpent-2-enylidene]pyridazin-4-imine?
The canonical SMILES for (5Z)-5-[(Z)-4-methylpent-2-enylidene]pyridazin-4-imine is [H]/N=C1\C=NN=C\C1=C\C=C/C(C)C.
What is the InChIKey of (5Z)-5-[(Z)-4-methylpent-2-enylidene]pyridazin-4-imine?
The InChIKey is UDXUFJPXNMLLJN-KBUGIXQSSA-N. The full InChI is InChI=1S/C10H13N3/c1-8(2)4-3-5-9-6-12-13-7-10(9)11/h3-8,11H,1-2H3/b4-3-,9-5-,11-10+.
What are the key properties of (5Z)-5-[(Z)-4-methylpent-2-enylidene]pyridazin-4-imine?
(5Z)-5-[(Z)-4-methylpent-2-enylidene]pyridazin-4-imine has a molecular weight of 175.23 g/mol, XLogP of 2.21, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(Z)-4-methylpent-2-enylidene]pyridazin-4-imine is sourced from PubChem (CID 87310176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).