8-[ethyl-[(4-methoxyphenyl)methyl]amino]-6-methylimidazo[1,2-b]pyridazine-3-carbonitrile

C18H19N5O — CID 70959519

IUPAC8-[ethyl-[(4-methoxyphenyl)methyl]amino]-6-methylimidazo[1,2-b]pyridazine-3-carbonitrile
SMILESCCN(Cc1ccc(OC)cc1)c1cc(C)nn2c(C#N)cnc12
InChIInChI=1S/C18H19N5O/c1-4-22(12-14-5-7-16(24-3)8-6-14)17-9-13(2)21-23-15(10-19)11-20-18(17)23/h5-9,11H,4,12H2,1-3H3
InChIKeyXGTXEFSKODSXGK-UHFFFAOYSA-N
MW321.38 g/mol
LogP2.94
Rot. Bonds5

About 8-[ethyl-[(4-methoxyphenyl)methyl]amino]-6-methylimidazo[1,2-b]pyridazine-3-carbonitrile

8-[ethyl-[(4-methoxyphenyl)methyl]amino]-6-methylimidazo[1,2-b]pyridazine-3-carbonitrile (PubChem CID 70959519) has the molecular formula C18H19N5O and a molecular weight of 321.38 g/mol. Its IUPAC name is 8-[ethyl-[(4-methoxyphenyl)methyl]amino]-6-methylimidazo[1,2-b]pyridazine-3-carbonitrile.

Molecular Properties

Compound Name8-[ethyl-[(4-methoxyphenyl)methyl]amino]-6-methylimidazo[1,2-b]pyridazine-3-carbonitrile
PubChem CID70959519
Molecular FormulaC18H19N5O
Molecular Weight321.38 g/mol
Exact Mass321.16
IUPAC Name8-[ethyl-[(4-methoxyphenyl)methyl]amino]-6-methylimidazo[1,2-b]pyridazine-3-carbonitrile
SMILESCCN(Cc1ccc(OC)cc1)c1cc(C)nn2c(C#N)cnc12
InChIInChI=1S/C18H19N5O/c1-4-22(12-14-5-7-16(24-3)8-6-14)17-9-13(2)21-23-15(10-19)11-20-18(17)23/h5-9,11H,4,12H2,1-3H3
InChIKeyXGTXEFSKODSXGK-UHFFFAOYSA-N
XLogP2.94
TPSA66.45 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

8-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-6-[4-(diethylamino)anilino]imidazo[1,2-b]pyridazine-3-carbonitrile
CID 59314055
2-amino-4-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]imidazo[2,1-f][1,2,4]triazine-7-carbonitrile
CID 141386326
4-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]imidazo[2,1-f][1,2,4]triazine-7-carbonitrile
CID 131743274
5-bromo-N-ethyl-N-[(4-methoxyphenyl)methyl]pyrimidin-2-amine
CID 133384195
6-[ethyl-[(4-methoxyphenyl)methyl]amino]pyridazine-3-carbonitrile
CID 133421291
8-[(6-bromo-2-pyridinyl)-[(4-methoxyphenyl)methyl]amino]-6-[(2-hydroxycyclohexyl)amino]imidazo[1,2-b]pyridazine-3-carbonitrile
CID 162390683
tert-butyl 4-[2-chloro-5-cyano-3-[[7-cyano-4-[ethyl-[(4-methoxyphenyl)methyl]amino]imidazo[2,1-f][1,2,4]triazin-2-yl]amino]phenyl]piperazine-1-carboxylate
CID 129057487
N-ethyl-4-methoxy-N-[(4-methylphenyl)methyl]aniline
CID 138518716
(2S)-2-[4-[2-chloro-5-cyano-3-[[7-cyano-4-[ethyl-[(4-methoxyphenyl)methyl]amino]imidazo[2,1-f][1,2,4]triazin-2-yl]amino]phenyl]piperazin-1-yl]propanamide
CID 129057489
6-chloro-8-[2-hydroxyethyl-[(4-methoxyphenyl)methyl]amino]imidazo[1,2-b]pyridazine-3-carbaldehyde
CID 118155386
6-chloro-3-isocyano-N-[(4-methoxyphenyl)methyl]-N-(2,2,2-trifluoroethyl)imidazo[1,2-b]pyridazin-8-amine
CID 140943124
1-N,1-N,4-N,4-N-tetrakis[(4-methoxyphenyl)methyl]benzene-1,4-diamine
CID 21254489

Frequently Asked Questions

What is the IUPAC name of 8-[ethyl-[(4-methoxyphenyl)methyl]amino]-6-methylimidazo[1,2-b]pyridazine-3-carbonitrile?
The IUPAC name of 8-[ethyl-[(4-methoxyphenyl)methyl]amino]-6-methylimidazo[1,2-b]pyridazine-3-carbonitrile (CID 70959519) is 8-[ethyl-[(4-methoxyphenyl)methyl]amino]-6-methylimidazo[1,2-b]pyridazine-3-carbonitrile.
What is the SMILES notation for 8-[ethyl-[(4-methoxyphenyl)methyl]amino]-6-methylimidazo[1,2-b]pyridazine-3-carbonitrile?
The canonical SMILES for 8-[ethyl-[(4-methoxyphenyl)methyl]amino]-6-methylimidazo[1,2-b]pyridazine-3-carbonitrile is CCN(Cc1ccc(OC)cc1)c1cc(C)nn2c(C#N)cnc12.
What is the InChIKey of 8-[ethyl-[(4-methoxyphenyl)methyl]amino]-6-methylimidazo[1,2-b]pyridazine-3-carbonitrile?
The InChIKey is XGTXEFSKODSXGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O/c1-4-22(12-14-5-7-16(24-3)8-6-14)17-9-13(2)21-23-15(10-19)11-20-18(17)23/h5-9,11H,4,12H2,1-3H3.
What are the key properties of 8-[ethyl-[(4-methoxyphenyl)methyl]amino]-6-methylimidazo[1,2-b]pyridazine-3-carbonitrile?
8-[ethyl-[(4-methoxyphenyl)methyl]amino]-6-methylimidazo[1,2-b]pyridazine-3-carbonitrile has a molecular weight of 321.38 g/mol, XLogP of 2.94, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[ethyl-[(4-methoxyphenyl)methyl]amino]-6-methylimidazo[1,2-b]pyridazine-3-carbonitrile is sourced from PubChem (CID 70959519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).