N-cyclopentyl-6,8-bis(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide

C14H20N6O — CID 162764665

IUPACN-cyclopentyl-6,8-bis(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide
SMILESCNc1cc(NC)c2ncc(C(=O)NC3CCCC3)n2n1
InChIInChI=1S/C14H20N6O/c1-15-10-7-12(16-2)19-20-11(8-17-13(10)20)14(21)18-9-5-3-4-6-9/h7-9,15H,3-6H2,1-2H3,(H,16,19)(H,18,21)
InChIKeyZTVFRVSIWPQYPW-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.49
Rot. Bonds4

About N-cyclopentyl-6,8-bis(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide

N-cyclopentyl-6,8-bis(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide (PubChem CID 162764665) has the molecular formula C14H20N6O and a molecular weight of 288.35 g/mol. Its IUPAC name is N-cyclopentyl-6,8-bis(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-6,8-bis(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide
PubChem CID162764665
Molecular FormulaC14H20N6O
Molecular Weight288.35 g/mol
Exact Mass288.17
IUPAC NameN-cyclopentyl-6,8-bis(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide
SMILESCNc1cc(NC)c2ncc(C(=O)NC3CCCC3)n2n1
InChIInChI=1S/C14H20N6O/c1-15-10-7-12(16-2)19-20-11(8-17-13(10)20)14(21)18-9-5-3-4-6-9/h7-9,15H,3-6H2,1-2H3,(H,16,19)(H,18,21)
InChIKeyZTVFRVSIWPQYPW-UHFFFAOYSA-N
XLogP1.49
TPSA83.35 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.49
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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Related Compounds

N-cyclopropyl-8-(methylamino)-6-[[5-(methylcarbamoyl)-1H-pyrazol-4-yl]amino]imidazo[1,2-b]pyridazine-3-carboxamide
CID 134417211
4-[[3-(cyclopropylcarbamoyl)-8-(methylamino)imidazo[1,2-b]pyridazin-6-yl]amino]-N-methyl-1,2-thiazole-3-carboxamide
CID 134417201
CID 162764663
CID 162764663
N-cyclopropyl-8-(methylamino)-6-[[2-(methylcarbamoyl)furan-3-yl]amino]imidazo[1,2-b]pyridazine-3-carboxamide
CID 134417195
methyl 6-[3-[[3-(cyclobutylcarbamoyl)-8-(methylamino)imidazo[1,2-b]pyridazin-6-yl]amino]-2-oxo-1-pyridinyl]pyridine-3-carboxylate
CID 176629530
N-cyclopropyl-8-(methylamino)-6-[[1-(6-methylpyridazin-3-yl)-2-oxo-3-pyridinyl]amino]imidazo[1,2-b]pyridazine-3-carboxamide
CID 155516134
6-[[1-(4-cyanophenyl)-2-oxo-3-pyridinyl]amino]-N-cyclopropyl-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide
CID 118139924
N-cyclopropyl-6-[[2,5-dimethyl-3-(phenylcarbamoyl)-1,5-dihydropyrazol-4-yl]amino]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide
CID 153023042
6-anilino-N-[(1R,2S)-2-fluorocyclopropyl]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide
CID 176629502
6-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-8-(methylamino)-N-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]imidazo[1,2-b]pyridazine-3-carboxamide
CID 163820029
6-(cyclohexylamino)-8-(methylamino)-N-[3-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide
CID 144795152
6-(cyclohexylamino)-8-(cyclopropylamino)-N-pyridin-4-ylimidazo[1,2-b]pyridazine-3-carboxamide
CID 59624903

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-6,8-bis(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide?
The IUPAC name of N-cyclopentyl-6,8-bis(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide (CID 162764665) is N-cyclopentyl-6,8-bis(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide.
What is the SMILES notation for N-cyclopentyl-6,8-bis(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide?
The canonical SMILES for N-cyclopentyl-6,8-bis(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide is CNc1cc(NC)c2ncc(C(=O)NC3CCCC3)n2n1.
What is the InChIKey of N-cyclopentyl-6,8-bis(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide?
The InChIKey is ZTVFRVSIWPQYPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6O/c1-15-10-7-12(16-2)19-20-11(8-17-13(10)20)14(21)18-9-5-3-4-6-9/h7-9,15H,3-6H2,1-2H3,(H,16,19)(H,18,21).
What are the key properties of N-cyclopentyl-6,8-bis(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide?
N-cyclopentyl-6,8-bis(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide has a molecular weight of 288.35 g/mol, XLogP of 1.49, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-6,8-bis(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide is sourced from PubChem (CID 162764665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).