6-(cyclopropanecarbonylamino)-4-ethenyl-N-methylpyridazine-3-carboxamide

C12H14N4O2 — CID 177347381

IUPAC6-(cyclopropanecarbonylamino)-4-ethenyl-N-methylpyridazine-3-carboxamide
SMILESC=Cc1cc(NC(=O)C2CC2)nnc1C(=O)NC
InChIInChI=1S/C12H14N4O2/c1-3-7-6-9(14-11(17)8-4-5-8)15-16-10(7)12(18)13-2/h3,6,8H,1,4-5H2,2H3,(H,13,18)(H,14,15,17)
InChIKeyXHLMJYXXAXDRJW-UHFFFAOYSA-N
MW246.27 g/mol
LogP0.83
Rot. Bonds4

About 6-(cyclopropanecarbonylamino)-4-ethenyl-N-methylpyridazine-3-carboxamide

6-(cyclopropanecarbonylamino)-4-ethenyl-N-methylpyridazine-3-carboxamide (PubChem CID 177347381) has the molecular formula C12H14N4O2 and a molecular weight of 246.27 g/mol. Its IUPAC name is 6-(cyclopropanecarbonylamino)-4-ethenyl-N-methylpyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(cyclopropanecarbonylamino)-4-ethenyl-N-methylpyridazine-3-carboxamide
PubChem CID177347381
Molecular FormulaC12H14N4O2
Molecular Weight246.27 g/mol
Exact Mass246.11
IUPAC Name6-(cyclopropanecarbonylamino)-4-ethenyl-N-methylpyridazine-3-carboxamide
SMILESC=Cc1cc(NC(=O)C2CC2)nnc1C(=O)NC
InChIInChI=1S/C12H14N4O2/c1-3-7-6-9(14-11(17)8-4-5-8)15-16-10(7)12(18)13-2/h3,6,8H,1,4-5H2,2H3,(H,13,18)(H,14,15,17)
InChIKeyXHLMJYXXAXDRJW-UHFFFAOYSA-N
XLogP0.83
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(cyclopropanecarbonylamino)-4-ethenyl-N-methylpyridazine-3-carboxamide?
The IUPAC name of 6-(cyclopropanecarbonylamino)-4-ethenyl-N-methylpyridazine-3-carboxamide (CID 177347381) is 6-(cyclopropanecarbonylamino)-4-ethenyl-N-methylpyridazine-3-carboxamide.
What is the SMILES notation for 6-(cyclopropanecarbonylamino)-4-ethenyl-N-methylpyridazine-3-carboxamide?
The canonical SMILES for 6-(cyclopropanecarbonylamino)-4-ethenyl-N-methylpyridazine-3-carboxamide is C=Cc1cc(NC(=O)C2CC2)nnc1C(=O)NC.
What is the InChIKey of 6-(cyclopropanecarbonylamino)-4-ethenyl-N-methylpyridazine-3-carboxamide?
The InChIKey is XHLMJYXXAXDRJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2/c1-3-7-6-9(14-11(17)8-4-5-8)15-16-10(7)12(18)13-2/h3,6,8H,1,4-5H2,2H3,(H,13,18)(H,14,15,17).
What are the key properties of 6-(cyclopropanecarbonylamino)-4-ethenyl-N-methylpyridazine-3-carboxamide?
6-(cyclopropanecarbonylamino)-4-ethenyl-N-methylpyridazine-3-carboxamide has a molecular weight of 246.27 g/mol, XLogP of 0.83, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclopropanecarbonylamino)-4-ethenyl-N-methylpyridazine-3-carboxamide is sourced from PubChem (CID 177347381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).