6-(5-cyano-2-methylanilino)-8-(cyclopropylamino)imidazo[1,2-b]pyridazine-3-carbonitrile

C18H15N7 — CID 59313875

IUPAC6-(5-cyano-2-methylanilino)-8-(cyclopropylamino)imidazo[1,2-b]pyridazine-3-carbonitrile
SMILESCc1ccc(C#N)cc1Nc1cc(NC2CC2)c2ncc(C#N)n2n1
InChIInChI=1S/C18H15N7/c1-11-2-3-12(8-19)6-15(11)23-17-7-16(22-13-4-5-13)18-21-10-14(9-20)25(18)24-17/h2-3,6-7,10,13,22H,4-5H2,1H3,(H,23,24)
InChIKeyVJTUZMKWQGEZPL-UHFFFAOYSA-N
MW329.37 g/mol
LogP3.10
Rot. Bonds4

About 6-(5-cyano-2-methylanilino)-8-(cyclopropylamino)imidazo[1,2-b]pyridazine-3-carbonitrile

6-(5-cyano-2-methylanilino)-8-(cyclopropylamino)imidazo[1,2-b]pyridazine-3-carbonitrile (PubChem CID 59313875) has the molecular formula C18H15N7 and a molecular weight of 329.37 g/mol. Its IUPAC name is 6-(5-cyano-2-methylanilino)-8-(cyclopropylamino)imidazo[1,2-b]pyridazine-3-carbonitrile.

Molecular Properties

Compound Name6-(5-cyano-2-methylanilino)-8-(cyclopropylamino)imidazo[1,2-b]pyridazine-3-carbonitrile
PubChem CID59313875
Molecular FormulaC18H15N7
Molecular Weight329.37 g/mol
Exact Mass329.14
IUPAC Name6-(5-cyano-2-methylanilino)-8-(cyclopropylamino)imidazo[1,2-b]pyridazine-3-carbonitrile
SMILESCc1ccc(C#N)cc1Nc1cc(NC2CC2)c2ncc(C#N)n2n1
InChIInChI=1S/C18H15N7/c1-11-2-3-12(8-19)6-15(11)23-17-7-16(22-13-4-5-13)18-21-10-14(9-20)25(18)24-17/h2-3,6-7,10,13,22H,4-5H2,1H3,(H,23,24)
InChIKeyVJTUZMKWQGEZPL-UHFFFAOYSA-N
XLogP3.10
TPSA101.83 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.37
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

6-(5-cyano-2-methoxyanilino)-8-(cyclopropylamino)imidazo[1,2-b]pyridazine-3-carbonitrile
CID 59313726
methyl N-[3-[[3-cyano-8-(cyclopropylamino)imidazo[1,2-b]pyridazin-6-yl]amino]-4-methylphenyl]carbamate
CID 59314022
8-amino-6-(5-cyano-2-methylanilino)imidazo[1,2-b]pyridazine-3-carbonitrile
CID 70958008
6-(3-amino-5-cyanoanilino)-8-(cyclopropylamino)imidazo[1,2-b]pyridazine-3-carbonitrile
CID 45378019
2-[[3-cyano-8-(cyclopropylamino)imidazo[1,2-b]pyridazin-6-yl]amino]-1,3-thiazole-5-carbonitrile
CID 59314051
N-[3-[[3-cyano-8-(cyclopropylamino)imidazo[1,2-b]pyridazin-6-yl]amino]phenyl]acetamide
CID 59313974
N-[6-[[3-cyano-8-(cyclopropylamino)imidazo[1,2-b]pyridazin-6-yl]amino]-2-pyridinyl]acetamide
CID 59313977
6-[4-cyano-3-(trifluoromethyl)anilino]-8-(cyclopropylamino)imidazo[1,2-b]pyridazine-3-carbonitrile
CID 59313968
[3-[[3-cyano-8-(cyclopropylamino)imidazo[1,2-b]pyridazin-6-yl]amino]-5-methoxyphenyl]cyanamide
CID 59314034
3-cyano-8-(cyclopropylamino)-6-[3-(sulfinoamino)anilino]imidazo[1,2-b]pyridazine
CID 67358031
methyl N-[3-[[3-cyano-8-(cyclopropylamino)imidazo[1,2-b]pyridazin-6-yl]amino]phenyl]carbamate
CID 59313846
methyl N-[5-[[3-cyano-8-(cyclopropylamino)imidazo[1,2-b]pyridazin-6-yl]amino]-2,4-difluorophenyl]carbamate
CID 59313830

Frequently Asked Questions

What is the IUPAC name of 6-(5-cyano-2-methylanilino)-8-(cyclopropylamino)imidazo[1,2-b]pyridazine-3-carbonitrile?
The IUPAC name of 6-(5-cyano-2-methylanilino)-8-(cyclopropylamino)imidazo[1,2-b]pyridazine-3-carbonitrile (CID 59313875) is 6-(5-cyano-2-methylanilino)-8-(cyclopropylamino)imidazo[1,2-b]pyridazine-3-carbonitrile.
What is the SMILES notation for 6-(5-cyano-2-methylanilino)-8-(cyclopropylamino)imidazo[1,2-b]pyridazine-3-carbonitrile?
The canonical SMILES for 6-(5-cyano-2-methylanilino)-8-(cyclopropylamino)imidazo[1,2-b]pyridazine-3-carbonitrile is Cc1ccc(C#N)cc1Nc1cc(NC2CC2)c2ncc(C#N)n2n1.
What is the InChIKey of 6-(5-cyano-2-methylanilino)-8-(cyclopropylamino)imidazo[1,2-b]pyridazine-3-carbonitrile?
The InChIKey is VJTUZMKWQGEZPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N7/c1-11-2-3-12(8-19)6-15(11)23-17-7-16(22-13-4-5-13)18-21-10-14(9-20)25(18)24-17/h2-3,6-7,10,13,22H,4-5H2,1H3,(H,23,24).
What are the key properties of 6-(5-cyano-2-methylanilino)-8-(cyclopropylamino)imidazo[1,2-b]pyridazine-3-carbonitrile?
6-(5-cyano-2-methylanilino)-8-(cyclopropylamino)imidazo[1,2-b]pyridazine-3-carbonitrile has a molecular weight of 329.37 g/mol, XLogP of 3.10, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-cyano-2-methylanilino)-8-(cyclopropylamino)imidazo[1,2-b]pyridazine-3-carbonitrile is sourced from PubChem (CID 59313875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).