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

C17H14N8 — CID 45378019

IUPAC6-(3-amino-5-cyanoanilino)-8-(cyclopropylamino)imidazo[1,2-b]pyridazine-3-carbonitrile
SMILESN#Cc1cc(N)cc(Nc2cc(NC3CC3)c3ncc(C#N)n3n2)c1
InChIInChI=1S/C17H14N8/c18-7-10-3-11(20)5-13(4-10)23-16-6-15(22-12-1-2-12)17-21-9-14(8-19)25(17)24-16/h3-6,9,12,22H,1-2,20H2,(H,23,24)
InChIKeyRHUYJHNQCRMLIW-UHFFFAOYSA-N
MW330.36 g/mol
LogP2.37
Rot. Bonds4

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

6-(3-amino-5-cyanoanilino)-8-(cyclopropylamino)imidazo[1,2-b]pyridazine-3-carbonitrile (PubChem CID 45378019) has the molecular formula C17H14N8 and a molecular weight of 330.36 g/mol. Its IUPAC name is 6-(3-amino-5-cyanoanilino)-8-(cyclopropylamino)imidazo[1,2-b]pyridazine-3-carbonitrile.

Molecular Properties

Compound Name6-(3-amino-5-cyanoanilino)-8-(cyclopropylamino)imidazo[1,2-b]pyridazine-3-carbonitrile
PubChem CID45378019
Molecular FormulaC17H14N8
Molecular Weight330.36 g/mol
Exact Mass330.13
IUPAC Name6-(3-amino-5-cyanoanilino)-8-(cyclopropylamino)imidazo[1,2-b]pyridazine-3-carbonitrile
SMILESN#Cc1cc(N)cc(Nc2cc(NC3CC3)c3ncc(C#N)n3n2)c1
InChIInChI=1S/C17H14N8/c18-7-10-3-11(20)5-13(4-10)23-16-6-15(22-12-1-2-12)17-21-9-14(8-19)25(17)24-16/h3-6,9,12,22H,1-2,20H2,(H,23,24)
InChIKeyRHUYJHNQCRMLIW-UHFFFAOYSA-N
XLogP2.37
TPSA127.85 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.36
LogP ≤ 52.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

6-(5-cyano-2-methylanilino)-8-(cyclopropylamino)imidazo[1,2-b]pyridazine-3-carbonitrile
CID 59313875
[3-[[3-cyano-8-(cyclopropylamino)imidazo[1,2-b]pyridazin-6-yl]amino]-5-methoxyphenyl]cyanamide
CID 59314034
6-[4-cyano-3-(trifluoromethyl)anilino]-8-(cyclopropylamino)imidazo[1,2-b]pyridazine-3-carbonitrile
CID 59313968
6-(5-cyano-2-methoxyanilino)-8-(cyclopropylamino)imidazo[1,2-b]pyridazine-3-carbonitrile
CID 59313726
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
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
8-(cyclopropylamino)-6-[4-(4-methylpiperazin-1-yl)-3-(1,2,4-triazol-4-yl)anilino]imidazo[1,2-b]pyridazine-3-carbonitrile
CID 59313716
N-[5-[[3-cyano-8-(cyclopropylamino)imidazo[1,2-b]pyridazin-6-yl]amino]-2-fluorophenyl]methanesulfinamide
CID 143973962
N-[6-[[3-cyano-8-(cyclopropylamino)imidazo[1,2-b]pyridazin-6-yl]amino]-2-pyridinyl]acetamide
CID 59313977
N-[2-(4-aminopiperidin-1-yl)-5-[[3-cyano-8-(cyclopropylamino)imidazo[1,2-b]pyridazin-6-yl]amino]phenyl]-N-methanimidoylmethanimidamide
CID 143973978

Frequently Asked Questions

What is the IUPAC name of 6-(3-amino-5-cyanoanilino)-8-(cyclopropylamino)imidazo[1,2-b]pyridazine-3-carbonitrile?
The IUPAC name of 6-(3-amino-5-cyanoanilino)-8-(cyclopropylamino)imidazo[1,2-b]pyridazine-3-carbonitrile (CID 45378019) is 6-(3-amino-5-cyanoanilino)-8-(cyclopropylamino)imidazo[1,2-b]pyridazine-3-carbonitrile.
What is the SMILES notation for 6-(3-amino-5-cyanoanilino)-8-(cyclopropylamino)imidazo[1,2-b]pyridazine-3-carbonitrile?
The canonical SMILES for 6-(3-amino-5-cyanoanilino)-8-(cyclopropylamino)imidazo[1,2-b]pyridazine-3-carbonitrile is N#Cc1cc(N)cc(Nc2cc(NC3CC3)c3ncc(C#N)n3n2)c1.
What is the InChIKey of 6-(3-amino-5-cyanoanilino)-8-(cyclopropylamino)imidazo[1,2-b]pyridazine-3-carbonitrile?
The InChIKey is RHUYJHNQCRMLIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N8/c18-7-10-3-11(20)5-13(4-10)23-16-6-15(22-12-1-2-12)17-21-9-14(8-19)25(17)24-16/h3-6,9,12,22H,1-2,20H2,(H,23,24).
What are the key properties of 6-(3-amino-5-cyanoanilino)-8-(cyclopropylamino)imidazo[1,2-b]pyridazine-3-carbonitrile?
6-(3-amino-5-cyanoanilino)-8-(cyclopropylamino)imidazo[1,2-b]pyridazine-3-carbonitrile has a molecular weight of 330.36 g/mol, XLogP of 2.37, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-amino-5-cyanoanilino)-8-(cyclopropylamino)imidazo[1,2-b]pyridazine-3-carbonitrile is sourced from PubChem (CID 45378019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).