6-[[(2E)-2-(dimethylhydrazinylidene)but-3-enoyl]amino]-N-methyl-4-propan-2-ylpyridazine-3-carboxamide;molecular hydrogen

C15H26N6O2 — CID 177348453

IUPAC6-[[(2E)-2-(dimethylhydrazinylidene)but-3-enoyl]amino]-N-methyl-4-propan-2-ylpyridazine-3-carboxamide;molecular hydrogen
SMILESC=C/C(=N\N(C)C)C(=O)Nc1cc(C(C)C)c(C(=O)NC)nn1.[H][H].[H][H]
InChIInChI=1S/C15H22N6O2.2H2/c1-7-11(20-21(5)6)14(22)17-12-8-10(9(2)3)13(19-18-12)15(23)16-4;;/h7-9H,1H2,2-6H3,(H,16,23)(H,17,18,22);2*1H/b20-11+;;
InChIKeyVYPSYGDFHGRIED-XIIGDXBDSA-N
MW322.41 g/mol
LogP1.49
Rot. Bonds6

About 6-[[(2E)-2-(dimethylhydrazinylidene)but-3-enoyl]amino]-N-methyl-4-propan-2-ylpyridazine-3-carboxamide;molecular hydrogen

6-[[(2E)-2-(dimethylhydrazinylidene)but-3-enoyl]amino]-N-methyl-4-propan-2-ylpyridazine-3-carboxamide;molecular hydrogen (PubChem CID 177348453) has the molecular formula C15H26N6O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is 6-[[(2E)-2-(dimethylhydrazinylidene)but-3-enoyl]amino]-N-methyl-4-propan-2-ylpyridazine-3-carboxamide;molecular hydrogen.

Molecular Properties

Compound Name6-[[(2E)-2-(dimethylhydrazinylidene)but-3-enoyl]amino]-N-methyl-4-propan-2-ylpyridazine-3-carboxamide;molecular hydrogen
PubChem CID177348453
Molecular FormulaC15H26N6O2
Molecular Weight322.41 g/mol
Exact Mass322.21
IUPAC Name6-[[(2E)-2-(dimethylhydrazinylidene)but-3-enoyl]amino]-N-methyl-4-propan-2-ylpyridazine-3-carboxamide;molecular hydrogen
SMILESC=C/C(=N\N(C)C)C(=O)Nc1cc(C(C)C)c(C(=O)NC)nn1.[H][H].[H][H]
InChIInChI=1S/C15H22N6O2.2H2/c1-7-11(20-21(5)6)14(22)17-12-8-10(9(2)3)13(19-18-12)15(23)16-4;;/h7-9H,1H2,2-6H3,(H,16,23)(H,17,18,22);2*1H/b20-11+;;
InChIKeyVYPSYGDFHGRIED-XIIGDXBDSA-N
XLogP1.49
TPSA99.58 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[[(2E)-2-(dimethylhydrazinylidene)but-3-enoyl]amino]-N-methyl-4-propan-2-ylpyridazine-3-carboxamide;molecular hydrogen?
The IUPAC name of 6-[[(2E)-2-(dimethylhydrazinylidene)but-3-enoyl]amino]-N-methyl-4-propan-2-ylpyridazine-3-carboxamide;molecular hydrogen (CID 177348453) is 6-[[(2E)-2-(dimethylhydrazinylidene)but-3-enoyl]amino]-N-methyl-4-propan-2-ylpyridazine-3-carboxamide;molecular hydrogen.
What is the SMILES notation for 6-[[(2E)-2-(dimethylhydrazinylidene)but-3-enoyl]amino]-N-methyl-4-propan-2-ylpyridazine-3-carboxamide;molecular hydrogen?
The canonical SMILES for 6-[[(2E)-2-(dimethylhydrazinylidene)but-3-enoyl]amino]-N-methyl-4-propan-2-ylpyridazine-3-carboxamide;molecular hydrogen is C=C/C(=N\N(C)C)C(=O)Nc1cc(C(C)C)c(C(=O)NC)nn1.[H][H].[H][H].
What is the InChIKey of 6-[[(2E)-2-(dimethylhydrazinylidene)but-3-enoyl]amino]-N-methyl-4-propan-2-ylpyridazine-3-carboxamide;molecular hydrogen?
The InChIKey is VYPSYGDFHGRIED-XIIGDXBDSA-N. The full InChI is InChI=1S/C15H22N6O2.2H2/c1-7-11(20-21(5)6)14(22)17-12-8-10(9(2)3)13(19-18-12)15(23)16-4;;/h7-9H,1H2,2-6H3,(H,16,23)(H,17,18,22);2*1H/b20-11+;;.
What are the key properties of 6-[[(2E)-2-(dimethylhydrazinylidene)but-3-enoyl]amino]-N-methyl-4-propan-2-ylpyridazine-3-carboxamide;molecular hydrogen?
6-[[(2E)-2-(dimethylhydrazinylidene)but-3-enoyl]amino]-N-methyl-4-propan-2-ylpyridazine-3-carboxamide;molecular hydrogen has a molecular weight of 322.41 g/mol, XLogP of 1.49, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(2E)-2-(dimethylhydrazinylidene)but-3-enoyl]amino]-N-methyl-4-propan-2-ylpyridazine-3-carboxamide;molecular hydrogen is sourced from PubChem (CID 177348453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).