1-[6-(2-cyanoanilino)pyridazin-3-yl]-3-propan-2-ylurea

C15H16N6O — CID 113051154

IUPAC1-[6-(2-cyanoanilino)pyridazin-3-yl]-3-propan-2-ylurea
SMILESCC(C)NC(=O)Nc1ccc(Nc2ccccc2C#N)nn1
InChIInChI=1S/C15H16N6O/c1-10(2)17-15(22)19-14-8-7-13(20-21-14)18-12-6-4-3-5-11(12)9-16/h3-8,10H,1-2H3,(H,18,20)(H2,17,19,21,22)
InChIKeyKBQPFTWLERAKLC-UHFFFAOYSA-N
MW296.33 g/mol
LogP2.62
Rot. Bonds4

About 1-[6-(2-cyanoanilino)pyridazin-3-yl]-3-propan-2-ylurea

1-[6-(2-cyanoanilino)pyridazin-3-yl]-3-propan-2-ylurea (PubChem CID 113051154) has the molecular formula C15H16N6O and a molecular weight of 296.33 g/mol. Its IUPAC name is 1-[6-(2-cyanoanilino)pyridazin-3-yl]-3-propan-2-ylurea.

Molecular Properties

Compound Name1-[6-(2-cyanoanilino)pyridazin-3-yl]-3-propan-2-ylurea
PubChem CID113051154
Molecular FormulaC15H16N6O
Molecular Weight296.33 g/mol
Exact Mass296.14
IUPAC Name1-[6-(2-cyanoanilino)pyridazin-3-yl]-3-propan-2-ylurea
SMILESCC(C)NC(=O)Nc1ccc(Nc2ccccc2C#N)nn1
InChIInChI=1S/C15H16N6O/c1-10(2)17-15(22)19-14-8-7-13(20-21-14)18-12-6-4-3-5-11(12)9-16/h3-8,10H,1-2H3,(H,18,20)(H2,17,19,21,22)
InChIKeyKBQPFTWLERAKLC-UHFFFAOYSA-N
XLogP2.62
TPSA102.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 52.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-[6-(3-chloro-2-methylanilino)pyridazin-3-yl]-3-propan-2-ylurea
CID 113047638
N-[6-(2-cyanoanilino)pyridazin-3-yl]-2-(2-fluorophenyl)acetamide
CID 113051142
N-[6-(2-cyanoanilino)pyridazin-3-yl]pyridine-3-carboxamide
CID 113051134
N-[6-(2-cyanoanilino)pyridazin-3-yl]-3,4-difluorobenzamide
CID 113051139
N-[6-(2-cyanoanilino)pyridazin-3-yl]-2,3,4-trifluorobenzamide
CID 113051140
6-(2-cyanoanilino)-2-methyl-N-propan-2-ylpyrimidine-4-carboxamide
CID 109360758
N-(2-cyanophenyl)-6-(2,3-dimethylanilino)pyridazine-3-carboxamide
CID 109127858
N-(2-tert-butylphenyl)-6-(2-cyanoanilino)pyridazine-3-carboxamide
CID 109128317
6-(2-cyanoanilino)-N-(2,6-dichlorophenyl)pyridazine-3-carboxamide
CID 109130309
6-(2-cyanoanilino)-N-(3,4-dimethylphenyl)pyridazine-3-carboxamide
CID 109127698
6-(2-cyanoanilino)-N-(2,4-dimethylphenyl)pyridazine-3-carboxamide
CID 109127570
N-(2-cyanophenyl)-6-(2-ethylanilino)pyridazine-3-carboxamide
CID 109127922

Frequently Asked Questions

What is the IUPAC name of 1-[6-(2-cyanoanilino)pyridazin-3-yl]-3-propan-2-ylurea?
The IUPAC name of 1-[6-(2-cyanoanilino)pyridazin-3-yl]-3-propan-2-ylurea (CID 113051154) is 1-[6-(2-cyanoanilino)pyridazin-3-yl]-3-propan-2-ylurea.
What is the SMILES notation for 1-[6-(2-cyanoanilino)pyridazin-3-yl]-3-propan-2-ylurea?
The canonical SMILES for 1-[6-(2-cyanoanilino)pyridazin-3-yl]-3-propan-2-ylurea is CC(C)NC(=O)Nc1ccc(Nc2ccccc2C#N)nn1.
What is the InChIKey of 1-[6-(2-cyanoanilino)pyridazin-3-yl]-3-propan-2-ylurea?
The InChIKey is KBQPFTWLERAKLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N6O/c1-10(2)17-15(22)19-14-8-7-13(20-21-14)18-12-6-4-3-5-11(12)9-16/h3-8,10H,1-2H3,(H,18,20)(H2,17,19,21,22).
What are the key properties of 1-[6-(2-cyanoanilino)pyridazin-3-yl]-3-propan-2-ylurea?
1-[6-(2-cyanoanilino)pyridazin-3-yl]-3-propan-2-ylurea has a molecular weight of 296.33 g/mol, XLogP of 2.62, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(2-cyanoanilino)pyridazin-3-yl]-3-propan-2-ylurea is sourced from PubChem (CID 113051154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).