2-hexa-2,4-dien-2-yl-3H-pyridazine

C10H14N2 — CID 91540705

IUPAC2-hexa-2,4-dien-2-yl-3H-pyridazine
SMILESCC=CC=C(C)N1CC=CC=N1
InChIInChI=1S/C10H14N2/c1-3-4-7-10(2)12-9-6-5-8-11-12/h3-8H,9H2,1-2H3
InChIKeyJRRGEYPBLMNCJZ-UHFFFAOYSA-N
MW162.24 g/mol
LogP2.32
Rot. Bonds2

About 2-hexa-2,4-dien-2-yl-3H-pyridazine

2-hexa-2,4-dien-2-yl-3H-pyridazine (PubChem CID 91540705) has the molecular formula C10H14N2 and a molecular weight of 162.24 g/mol. Its IUPAC name is 2-hexa-2,4-dien-2-yl-3H-pyridazine.

Molecular Properties

Compound Name2-hexa-2,4-dien-2-yl-3H-pyridazine
PubChem CID91540705
Molecular FormulaC10H14N2
Molecular Weight162.24 g/mol
Exact Mass162.12
IUPAC Name2-hexa-2,4-dien-2-yl-3H-pyridazine
SMILESCC=CC=C(C)N1CC=CC=N1
InChIInChI=1S/C10H14N2/c1-3-4-7-10(2)12-9-6-5-8-11-12/h3-8H,9H2,1-2H3
InChIKeyJRRGEYPBLMNCJZ-UHFFFAOYSA-N
XLogP2.32
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.24
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(Z)-N-(4-fluoro-2-methylidene-1-pyridinyl)ethanimine
CID 139374508
1-Methyl-6-methylidenepyridazine
CID 57558126
1-Propan-2-yl-6-propan-2-ylidenepyridazine
CID 57686807
3-Methylidenepyridazin-2-ide
CID 60073056
(Z)-1-(6-methylidenepyridazin-1-yl)prop-1-en-2-amine
CID 68215653
10H-triazino[1,2-a]diazepine
CID 68538108
(6E,8Z,10E)-12H-triazino[1,2-a]diazonine
CID 68538399
(Z)-N-(2-methyl-6-methylidene-1-pyridinyl)ethanimine
CID 88272988
(6Z)-1-methyl-6-prop-2-enylidenepyridazine
CID 88886126
3-chloro-6-methylidene-1-[(Z)-prop-1-enyl]pyridazine
CID 89376150
6-Methylidene-1-propan-2-ylpyridazine
CID 89502125
1,4-Dimethyl-6-methylidenepyridazine
CID 89576334

Frequently Asked Questions

What is the IUPAC name of 2-hexa-2,4-dien-2-yl-3H-pyridazine?
The IUPAC name of 2-hexa-2,4-dien-2-yl-3H-pyridazine (CID 91540705) is 2-hexa-2,4-dien-2-yl-3H-pyridazine.
What is the SMILES notation for 2-hexa-2,4-dien-2-yl-3H-pyridazine?
The canonical SMILES for 2-hexa-2,4-dien-2-yl-3H-pyridazine is CC=CC=C(C)N1CC=CC=N1.
What is the InChIKey of 2-hexa-2,4-dien-2-yl-3H-pyridazine?
The InChIKey is JRRGEYPBLMNCJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2/c1-3-4-7-10(2)12-9-6-5-8-11-12/h3-8H,9H2,1-2H3.
What are the key properties of 2-hexa-2,4-dien-2-yl-3H-pyridazine?
2-hexa-2,4-dien-2-yl-3H-pyridazine has a molecular weight of 162.24 g/mol, XLogP of 2.32, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hexa-2,4-dien-2-yl-3H-pyridazine is sourced from PubChem (CID 91540705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).