4-[[6-oxo-4-(propylamino)pyridazin-1-yl]methyl]pyridine-2-carbonitrile

C14H15N5O — CID 103220340

IUPAC4-[[6-oxo-4-(propylamino)pyridazin-1-yl]methyl]pyridine-2-carbonitrile
SMILESCCCNc1cnn(Cc2ccnc(C#N)c2)c(=O)c1
InChIInChI=1S/C14H15N5O/c1-2-4-16-13-7-14(20)19(18-9-13)10-11-3-5-17-12(6-11)8-15/h3,5-7,9,16H,2,4,10H2,1H3
InChIKeyATQCUASFOUUIIY-UHFFFAOYSA-N
MW269.31 g/mol
LogP1.38
Rot. Bonds5

About 4-[[6-oxo-4-(propylamino)pyridazin-1-yl]methyl]pyridine-2-carbonitrile

4-[[6-oxo-4-(propylamino)pyridazin-1-yl]methyl]pyridine-2-carbonitrile (PubChem CID 103220340) has the molecular formula C14H15N5O and a molecular weight of 269.31 g/mol. Its IUPAC name is 4-[[6-oxo-4-(propylamino)pyridazin-1-yl]methyl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-[[6-oxo-4-(propylamino)pyridazin-1-yl]methyl]pyridine-2-carbonitrile
PubChem CID103220340
Molecular FormulaC14H15N5O
Molecular Weight269.31 g/mol
Exact Mass269.13
IUPAC Name4-[[6-oxo-4-(propylamino)pyridazin-1-yl]methyl]pyridine-2-carbonitrile
SMILESCCCNc1cnn(Cc2ccnc(C#N)c2)c(=O)c1
InChIInChI=1S/C14H15N5O/c1-2-4-16-13-7-14(20)19(18-9-13)10-11-3-5-17-12(6-11)8-15/h3,5-7,9,16H,2,4,10H2,1H3
InChIKeyATQCUASFOUUIIY-UHFFFAOYSA-N
XLogP1.38
TPSA83.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.31
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[[6-oxo-4-(propylamino)pyridazin-1-yl]methyl]pyridine-2-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[4-[2-(methylamino)ethylamino]-6-oxopyridazin-1-yl]methyl]benzonitrile
CID 103223592
2-[(2,6-dimethylphenyl)methyl]-5-(propylamino)pyridazin-3-one
CID 103220165
2-[(2-methylphenyl)methyl]-5-(propylamino)pyridazin-3-one
CID 103220104
2-[(3-chloro-4-fluorophenyl)methyl]-5-[2-(methylamino)ethylamino]pyridazin-3-one
CID 103223669
4-[2-(propylamino)ethylamino]pyridine-2-carbonitrile
CID 62926078
2-[(2,5-dichlorophenyl)methyl]-5-(propylamino)pyridazin-3-one
CID 103220082
5-(ethylamino)-2-[(4-fluorophenyl)methyl]pyridazin-3-one
CID 103218930
2-(3-hydroxy-3-methylbutyl)-5-(propylamino)pyridazin-3-one
CID 103220306
2-[(2-bromo-5-fluorophenyl)methyl]-5-(propylamino)pyridazin-3-one
CID 103220063
2,2-dimethyl-6-[6-oxo-4-(propylamino)pyridazin-1-yl]hexanenitrile
CID 106714923
2-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-5-(propylamino)pyridazin-3-one
CID 103220377
2-[(2-methyltetrazol-5-yl)methyl]-5-(propylamino)pyridazin-3-one
CID 107067014

Frequently Asked Questions

What is the IUPAC name of 4-[[6-oxo-4-(propylamino)pyridazin-1-yl]methyl]pyridine-2-carbonitrile?
The IUPAC name of 4-[[6-oxo-4-(propylamino)pyridazin-1-yl]methyl]pyridine-2-carbonitrile (CID 103220340) is 4-[[6-oxo-4-(propylamino)pyridazin-1-yl]methyl]pyridine-2-carbonitrile.
What is the SMILES notation for 4-[[6-oxo-4-(propylamino)pyridazin-1-yl]methyl]pyridine-2-carbonitrile?
The canonical SMILES for 4-[[6-oxo-4-(propylamino)pyridazin-1-yl]methyl]pyridine-2-carbonitrile is CCCNc1cnn(Cc2ccnc(C#N)c2)c(=O)c1.
What is the InChIKey of 4-[[6-oxo-4-(propylamino)pyridazin-1-yl]methyl]pyridine-2-carbonitrile?
The InChIKey is ATQCUASFOUUIIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O/c1-2-4-16-13-7-14(20)19(18-9-13)10-11-3-5-17-12(6-11)8-15/h3,5-7,9,16H,2,4,10H2,1H3.
What are the key properties of 4-[[6-oxo-4-(propylamino)pyridazin-1-yl]methyl]pyridine-2-carbonitrile?
4-[[6-oxo-4-(propylamino)pyridazin-1-yl]methyl]pyridine-2-carbonitrile has a molecular weight of 269.31 g/mol, XLogP of 1.38, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[6-oxo-4-(propylamino)pyridazin-1-yl]methyl]pyridine-2-carbonitrile is sourced from PubChem (CID 103220340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).