6-chloro-3-(3-prop-2-enoxypyrrolidin-1-yl)pyridazine-4-carboxamide

C12H15ClN4O2 — CID 133465341

IUPAC6-chloro-3-(3-prop-2-enoxypyrrolidin-1-yl)pyridazine-4-carboxamide
SMILESC=CCOC1CCN(c2nnc(Cl)cc2C(N)=O)C1
InChIInChI=1S/C12H15ClN4O2/c1-2-5-19-8-3-4-17(7-8)12-9(11(14)18)6-10(13)15-16-12/h2,6,8H,1,3-5,7H2,(H2,14,18)
InChIKeyMEHSODBFWGSNSN-UHFFFAOYSA-N
MW282.73 g/mol
LogP1.01
Rot. Bonds5

About 6-chloro-3-(3-prop-2-enoxypyrrolidin-1-yl)pyridazine-4-carboxamide

6-chloro-3-(3-prop-2-enoxypyrrolidin-1-yl)pyridazine-4-carboxamide (PubChem CID 133465341) has the molecular formula C12H15ClN4O2 and a molecular weight of 282.73 g/mol. Its IUPAC name is 6-chloro-3-(3-prop-2-enoxypyrrolidin-1-yl)pyridazine-4-carboxamide.

Molecular Properties

Compound Name6-chloro-3-(3-prop-2-enoxypyrrolidin-1-yl)pyridazine-4-carboxamide
PubChem CID133465341
Molecular FormulaC12H15ClN4O2
Molecular Weight282.73 g/mol
Exact Mass282.09
IUPAC Name6-chloro-3-(3-prop-2-enoxypyrrolidin-1-yl)pyridazine-4-carboxamide
SMILESC=CCOC1CCN(c2nnc(Cl)cc2C(N)=O)C1
InChIInChI=1S/C12H15ClN4O2/c1-2-5-19-8-3-4-17(7-8)12-9(11(14)18)6-10(13)15-16-12/h2,6,8H,1,3-5,7H2,(H2,14,18)
InChIKeyMEHSODBFWGSNSN-UHFFFAOYSA-N
XLogP1.01
TPSA81.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.73
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-(3-prop-2-enoxypyrrolidin-1-yl)pyridazine-4-carboxamide?
The IUPAC name of 6-chloro-3-(3-prop-2-enoxypyrrolidin-1-yl)pyridazine-4-carboxamide (CID 133465341) is 6-chloro-3-(3-prop-2-enoxypyrrolidin-1-yl)pyridazine-4-carboxamide.
What is the SMILES notation for 6-chloro-3-(3-prop-2-enoxypyrrolidin-1-yl)pyridazine-4-carboxamide?
The canonical SMILES for 6-chloro-3-(3-prop-2-enoxypyrrolidin-1-yl)pyridazine-4-carboxamide is C=CCOC1CCN(c2nnc(Cl)cc2C(N)=O)C1.
What is the InChIKey of 6-chloro-3-(3-prop-2-enoxypyrrolidin-1-yl)pyridazine-4-carboxamide?
The InChIKey is MEHSODBFWGSNSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN4O2/c1-2-5-19-8-3-4-17(7-8)12-9(11(14)18)6-10(13)15-16-12/h2,6,8H,1,3-5,7H2,(H2,14,18).
What are the key properties of 6-chloro-3-(3-prop-2-enoxypyrrolidin-1-yl)pyridazine-4-carboxamide?
6-chloro-3-(3-prop-2-enoxypyrrolidin-1-yl)pyridazine-4-carboxamide has a molecular weight of 282.73 g/mol, XLogP of 1.01, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-(3-prop-2-enoxypyrrolidin-1-yl)pyridazine-4-carboxamide is sourced from PubChem (CID 133465341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).