4-[6-(cyclopropylmethylamino)imidazo[1,2-b]pyridazin-3-yl]benzonitrile

C17H15N5 — CID 44580273

IUPAC4-[6-(cyclopropylmethylamino)imidazo[1,2-b]pyridazin-3-yl]benzonitrile
SMILESN#Cc1ccc(-c2cnc3ccc(NCC4CC4)nn23)cc1
InChIInChI=1S/C17H15N5/c18-9-12-3-5-14(6-4-12)15-11-20-17-8-7-16(21-22(15)17)19-10-13-1-2-13/h3-8,11,13H,1-2,10H2,(H,19,21)
InChIKeyZECHSASRXYGVKD-UHFFFAOYSA-N
MW289.34 g/mol
LogP3.09
Rot. Bonds4

About 4-[6-(cyclopropylmethylamino)imidazo[1,2-b]pyridazin-3-yl]benzonitrile

4-[6-(cyclopropylmethylamino)imidazo[1,2-b]pyridazin-3-yl]benzonitrile (PubChem CID 44580273) has the molecular formula C17H15N5 and a molecular weight of 289.34 g/mol. Its IUPAC name is 4-[6-(cyclopropylmethylamino)imidazo[1,2-b]pyridazin-3-yl]benzonitrile.

Molecular Properties

Compound Name4-[6-(cyclopropylmethylamino)imidazo[1,2-b]pyridazin-3-yl]benzonitrile
PubChem CID44580273
Molecular FormulaC17H15N5
Molecular Weight289.34 g/mol
Exact Mass289.13
IUPAC Name4-[6-(cyclopropylmethylamino)imidazo[1,2-b]pyridazin-3-yl]benzonitrile
SMILESN#Cc1ccc(-c2cnc3ccc(NCC4CC4)nn23)cc1
InChIInChI=1S/C17H15N5/c18-9-12-3-5-14(6-4-12)15-11-20-17-8-7-16(21-22(15)17)19-10-13-1-2-13/h3-8,11,13H,1-2,10H2,(H,19,21)
InChIKeyZECHSASRXYGVKD-UHFFFAOYSA-N
XLogP3.09
TPSA66.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[6-(benzylamino)imidazo[1,2-b]pyridazin-3-yl]benzonitrile
CID 122179540
N-(cyclopropylmethyl)-3-(1H-pyrazol-4-yl)imidazo[1,2-b]pyridazin-6-amine
CID 135961528
4-[6-(thiophen-2-ylmethylamino)imidazo[1,2-b]pyridazin-3-yl]benzonitrile
CID 126469830
N-(cyclopropylmethyl)-3-(2-methoxyphenyl)imidazo[1,2-b]pyridazin-6-amine
CID 126473193
3-(3-chlorophenyl)-N-(thian-4-ylmethyl)imidazo[1,2-b]pyridazin-6-amine
CID 123445436
4-[6-(oxan-4-yloxy)imidazo[1,2-b]pyridazin-3-yl]benzonitrile
CID 66890326
4-(6-cyclohexylsulfanylimidazo[1,2-b]pyridazin-3-yl)benzonitrile
CID 66888862
N-[(1-ethylpiperidin-4-yl)methyl]-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine
CID 25025645
4-[6-[4-(4-ethylpiperidine-1-carbonyl)phenyl]imidazo[1,2-b]pyridazin-3-yl]benzonitrile
CID 148782489
4-[6-(cyclopropylmethylamino)imidazo[1,2-b]pyridazin-3-yl]-N-[[(2S,4R)-4-fluoropyrrolidin-2-yl]methyl]-N-(2-hydroxyethyl)benzamide
CID 53324797
4-[6-(propylamino)imidazo[1,2-b]pyridazin-3-yl]phenol
CID 135923088
2-[[[3-[4-(aminomethyl)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]methyl]-5-tert-butylpiperidine-1-carboxylic acid
CID 118678168

Frequently Asked Questions

What is the IUPAC name of 4-[6-(cyclopropylmethylamino)imidazo[1,2-b]pyridazin-3-yl]benzonitrile?
The IUPAC name of 4-[6-(cyclopropylmethylamino)imidazo[1,2-b]pyridazin-3-yl]benzonitrile (CID 44580273) is 4-[6-(cyclopropylmethylamino)imidazo[1,2-b]pyridazin-3-yl]benzonitrile.
What is the SMILES notation for 4-[6-(cyclopropylmethylamino)imidazo[1,2-b]pyridazin-3-yl]benzonitrile?
The canonical SMILES for 4-[6-(cyclopropylmethylamino)imidazo[1,2-b]pyridazin-3-yl]benzonitrile is N#Cc1ccc(-c2cnc3ccc(NCC4CC4)nn23)cc1.
What is the InChIKey of 4-[6-(cyclopropylmethylamino)imidazo[1,2-b]pyridazin-3-yl]benzonitrile?
The InChIKey is ZECHSASRXYGVKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5/c18-9-12-3-5-14(6-4-12)15-11-20-17-8-7-16(21-22(15)17)19-10-13-1-2-13/h3-8,11,13H,1-2,10H2,(H,19,21).
What are the key properties of 4-[6-(cyclopropylmethylamino)imidazo[1,2-b]pyridazin-3-yl]benzonitrile?
4-[6-(cyclopropylmethylamino)imidazo[1,2-b]pyridazin-3-yl]benzonitrile has a molecular weight of 289.34 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(cyclopropylmethylamino)imidazo[1,2-b]pyridazin-3-yl]benzonitrile is sourced from PubChem (CID 44580273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).