6-anilino-8-(cyclopropylamino)imidazo[1,2-b]pyridazine-3-carboxamide

C16H16N6O — CID 140943115

IUPAC6-anilino-8-(cyclopropylamino)imidazo[1,2-b]pyridazine-3-carboxamide
SMILESNC(=O)c1cnc2c(NC3CC3)cc(Nc3ccccc3)nn12
InChIInChI=1S/C16H16N6O/c17-15(23)13-9-18-16-12(19-11-6-7-11)8-14(21-22(13)16)20-10-4-2-1-3-5-10/h1-5,8-9,11,19H,6-7H2,(H2,17,23)(H,20,21)
InChIKeyQZGWYLPGPJWINC-UHFFFAOYSA-N
MW308.34 g/mol
LogP2.15
Rot. Bonds5

About 6-anilino-8-(cyclopropylamino)imidazo[1,2-b]pyridazine-3-carboxamide

6-anilino-8-(cyclopropylamino)imidazo[1,2-b]pyridazine-3-carboxamide (PubChem CID 140943115) has the molecular formula C16H16N6O and a molecular weight of 308.34 g/mol. Its IUPAC name is 6-anilino-8-(cyclopropylamino)imidazo[1,2-b]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-anilino-8-(cyclopropylamino)imidazo[1,2-b]pyridazine-3-carboxamide
PubChem CID140943115
Molecular FormulaC16H16N6O
Molecular Weight308.34 g/mol
Exact Mass308.14
IUPAC Name6-anilino-8-(cyclopropylamino)imidazo[1,2-b]pyridazine-3-carboxamide
SMILESNC(=O)c1cnc2c(NC3CC3)cc(Nc3ccccc3)nn12
InChIInChI=1S/C16H16N6O/c17-15(23)13-9-18-16-12(19-11-6-7-11)8-14(21-22(13)16)20-10-4-2-1-3-5-10/h1-5,8-9,11,19H,6-7H2,(H2,17,23)(H,20,21)
InChIKeyQZGWYLPGPJWINC-UHFFFAOYSA-N
XLogP2.15
TPSA97.34 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 52.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_6_tetrazine(18)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-anilino-8-(cyclopropylamino)imidazo[1,2-b]pyridazine-3-carboxamide?
The IUPAC name of 6-anilino-8-(cyclopropylamino)imidazo[1,2-b]pyridazine-3-carboxamide (CID 140943115) is 6-anilino-8-(cyclopropylamino)imidazo[1,2-b]pyridazine-3-carboxamide.
What is the SMILES notation for 6-anilino-8-(cyclopropylamino)imidazo[1,2-b]pyridazine-3-carboxamide?
The canonical SMILES for 6-anilino-8-(cyclopropylamino)imidazo[1,2-b]pyridazine-3-carboxamide is NC(=O)c1cnc2c(NC3CC3)cc(Nc3ccccc3)nn12.
What is the InChIKey of 6-anilino-8-(cyclopropylamino)imidazo[1,2-b]pyridazine-3-carboxamide?
The InChIKey is QZGWYLPGPJWINC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N6O/c17-15(23)13-9-18-16-12(19-11-6-7-11)8-14(21-22(13)16)20-10-4-2-1-3-5-10/h1-5,8-9,11,19H,6-7H2,(H2,17,23)(H,20,21).
What are the key properties of 6-anilino-8-(cyclopropylamino)imidazo[1,2-b]pyridazine-3-carboxamide?
6-anilino-8-(cyclopropylamino)imidazo[1,2-b]pyridazine-3-carboxamide has a molecular weight of 308.34 g/mol, XLogP of 2.15, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-anilino-8-(cyclopropylamino)imidazo[1,2-b]pyridazine-3-carboxamide is sourced from PubChem (CID 140943115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).