ethane;N-(4-methyl-3-pyridazin-3-ylphenyl)formamide;molecular hydrogen

C16H25N3O — CID 169176261

IUPACethane;N-(4-methyl-3-pyridazin-3-ylphenyl)formamide;molecular hydrogen
SMILESCC.CC.Cc1ccc(NC=O)cc1-c1cccnn1.[H][H]
InChIInChI=1S/C12H11N3O.2C2H6.H2/c1-9-4-5-10(13-8-16)7-11(9)12-3-2-6-14-15-12;2*1-2;/h2-8H,1H3,(H,13,16);2*1-2H3;1H
InChIKeyHUKGTRCGBMWNSN-UHFFFAOYSA-N
MW275.40 g/mol
LogP4.32
Rot. Bonds3

About ethane;N-(4-methyl-3-pyridazin-3-ylphenyl)formamide;molecular hydrogen

ethane;N-(4-methyl-3-pyridazin-3-ylphenyl)formamide;molecular hydrogen (PubChem CID 169176261) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is ethane;N-(4-methyl-3-pyridazin-3-ylphenyl)formamide;molecular hydrogen.

Molecular Properties

Compound Nameethane;N-(4-methyl-3-pyridazin-3-ylphenyl)formamide;molecular hydrogen
PubChem CID169176261
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Nameethane;N-(4-methyl-3-pyridazin-3-ylphenyl)formamide;molecular hydrogen
SMILESCC.CC.Cc1ccc(NC=O)cc1-c1cccnn1.[H][H]
InChIInChI=1S/C12H11N3O.2C2H6.H2/c1-9-4-5-10(13-8-16)7-11(9)12-3-2-6-14-15-12;2*1-2;/h2-8H,1H3,(H,13,16);2*1-2H3;1H
InChIKeyHUKGTRCGBMWNSN-UHFFFAOYSA-N
XLogP4.32
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;N-(4-methyl-3-pyridazin-3-ylphenyl)formamide;molecular hydrogen?
The IUPAC name of ethane;N-(4-methyl-3-pyridazin-3-ylphenyl)formamide;molecular hydrogen (CID 169176261) is ethane;N-(4-methyl-3-pyridazin-3-ylphenyl)formamide;molecular hydrogen.
What is the SMILES notation for ethane;N-(4-methyl-3-pyridazin-3-ylphenyl)formamide;molecular hydrogen?
The canonical SMILES for ethane;N-(4-methyl-3-pyridazin-3-ylphenyl)formamide;molecular hydrogen is CC.CC.Cc1ccc(NC=O)cc1-c1cccnn1.[H][H].
What is the InChIKey of ethane;N-(4-methyl-3-pyridazin-3-ylphenyl)formamide;molecular hydrogen?
The InChIKey is HUKGTRCGBMWNSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O.2C2H6.H2/c1-9-4-5-10(13-8-16)7-11(9)12-3-2-6-14-15-12;2*1-2;/h2-8H,1H3,(H,13,16);2*1-2H3;1H.
What are the key properties of ethane;N-(4-methyl-3-pyridazin-3-ylphenyl)formamide;molecular hydrogen?
ethane;N-(4-methyl-3-pyridazin-3-ylphenyl)formamide;molecular hydrogen has a molecular weight of 275.40 g/mol, XLogP of 4.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-(4-methyl-3-pyridazin-3-ylphenyl)formamide;molecular hydrogen is sourced from PubChem (CID 169176261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).