3,6-dimethyl-N-[(E)-pent-3-enyl]pyridazine-4-carboxamide

C12H17N3O — CID 115877392

IUPAC3,6-dimethyl-N-[(E)-pent-3-enyl]pyridazine-4-carboxamide
SMILESC/C=C/CCNC(=O)c1cc(C)nnc1C
InChIInChI=1S/C12H17N3O/c1-4-5-6-7-13-12(16)11-8-9(2)14-15-10(11)3/h4-5,8H,6-7H2,1-3H3,(H,13,16)/b5-4+
InChIKeyUCIHDUHGVZDSGF-SNAWJCMRSA-N
MW219.29 g/mol
LogP1.79
Rot. Bonds4

About 3,6-dimethyl-N-[(E)-pent-3-enyl]pyridazine-4-carboxamide

3,6-dimethyl-N-[(E)-pent-3-enyl]pyridazine-4-carboxamide (PubChem CID 115877392) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is 3,6-dimethyl-N-[(E)-pent-3-enyl]pyridazine-4-carboxamide.

Molecular Properties

Compound Name3,6-dimethyl-N-[(E)-pent-3-enyl]pyridazine-4-carboxamide
PubChem CID115877392
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name3,6-dimethyl-N-[(E)-pent-3-enyl]pyridazine-4-carboxamide
SMILESC/C=C/CCNC(=O)c1cc(C)nnc1C
InChIInChI=1S/C12H17N3O/c1-4-5-6-7-13-12(16)11-8-9(2)14-15-10(11)3/h4-5,8H,6-7H2,1-3H3,(H,13,16)/b5-4+
InChIKeyUCIHDUHGVZDSGF-SNAWJCMRSA-N
XLogP1.79
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,6-dimethyl-N-[(E)-pent-3-enyl]pyridazine-4-carboxamide?
The IUPAC name of 3,6-dimethyl-N-[(E)-pent-3-enyl]pyridazine-4-carboxamide (CID 115877392) is 3,6-dimethyl-N-[(E)-pent-3-enyl]pyridazine-4-carboxamide.
What is the SMILES notation for 3,6-dimethyl-N-[(E)-pent-3-enyl]pyridazine-4-carboxamide?
The canonical SMILES for 3,6-dimethyl-N-[(E)-pent-3-enyl]pyridazine-4-carboxamide is C/C=C/CCNC(=O)c1cc(C)nnc1C.
What is the InChIKey of 3,6-dimethyl-N-[(E)-pent-3-enyl]pyridazine-4-carboxamide?
The InChIKey is UCIHDUHGVZDSGF-SNAWJCMRSA-N. The full InChI is InChI=1S/C12H17N3O/c1-4-5-6-7-13-12(16)11-8-9(2)14-15-10(11)3/h4-5,8H,6-7H2,1-3H3,(H,13,16)/b5-4+.
What are the key properties of 3,6-dimethyl-N-[(E)-pent-3-enyl]pyridazine-4-carboxamide?
3,6-dimethyl-N-[(E)-pent-3-enyl]pyridazine-4-carboxamide has a molecular weight of 219.29 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethyl-N-[(E)-pent-3-enyl]pyridazine-4-carboxamide is sourced from PubChem (CID 115877392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).