3-[[4-[2-aminoethyl(methyl)amino]-6-oxopyridazin-1-yl]methyl]pyridine-2-carbonitrile

C14H16N6O — CID 103223517

IUPAC3-[[4-[2-aminoethyl(methyl)amino]-6-oxopyridazin-1-yl]methyl]pyridine-2-carbonitrile
SMILESCN(CCN)c1cnn(Cc2cccnc2C#N)c(=O)c1
InChIInChI=1S/C14H16N6O/c1-19(6-4-15)12-7-14(21)20(18-9-12)10-11-3-2-5-17-13(11)8-16/h2-3,5,7,9H,4,6,10,15H2,1H3
InChIKeyQIOQNNFVWULYAT-UHFFFAOYSA-N
MW284.32 g/mol
LogP-0.05
Rot. Bonds5

About 3-[[4-[2-aminoethyl(methyl)amino]-6-oxopyridazin-1-yl]methyl]pyridine-2-carbonitrile

3-[[4-[2-aminoethyl(methyl)amino]-6-oxopyridazin-1-yl]methyl]pyridine-2-carbonitrile (PubChem CID 103223517) has the molecular formula C14H16N6O and a molecular weight of 284.32 g/mol. Its IUPAC name is 3-[[4-[2-aminoethyl(methyl)amino]-6-oxopyridazin-1-yl]methyl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name3-[[4-[2-aminoethyl(methyl)amino]-6-oxopyridazin-1-yl]methyl]pyridine-2-carbonitrile
PubChem CID103223517
Molecular FormulaC14H16N6O
Molecular Weight284.32 g/mol
Exact Mass284.14
IUPAC Name3-[[4-[2-aminoethyl(methyl)amino]-6-oxopyridazin-1-yl]methyl]pyridine-2-carbonitrile
SMILESCN(CCN)c1cnn(Cc2cccnc2C#N)c(=O)c1
InChIInChI=1S/C14H16N6O/c1-19(6-4-15)12-7-14(21)20(18-9-12)10-11-3-2-5-17-13(11)8-16/h2-3,5,7,9H,4,6,10,15H2,1H3
InChIKeyQIOQNNFVWULYAT-UHFFFAOYSA-N
XLogP-0.05
TPSA100.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-[2-aminoethyl(methyl)amino]-2-[(1-methylpyrazol-3-yl)methyl]pyridazin-3-one
CID 103223454
5-[2-aminoethyl(methyl)amino]-2-[(3-methylphenyl)methyl]pyridazin-3-one
CID 103223402
2-[[2-(ethylamino)-3-pyridinyl]methyl]-5-[ethyl(methyl)amino]pyridazin-3-one
CID 114397276
5-[2-aminoethyl(methyl)amino]-2-[(3-hydroxyphenyl)methyl]pyridazin-3-one
CID 103223394
2-[4-[2-aminoethyl(methyl)amino]-6-oxopyridazin-1-yl]acetamide
CID 103223387
5-[2-aminoethyl(methyl)amino]-2-(2-phenoxyethyl)pyridazin-3-one
CID 103223467
5-[2-aminoethyl(methyl)amino]-2-[(4-chloro-3-fluorophenyl)methyl]pyridazin-3-one
CID 107894341
5-[2-aminoethyl(methyl)amino]-2-[(2-propyl-1,2,4-triazol-3-yl)methyl]pyridazin-3-one
CID 103223341
5-[2-aminoethyl(methyl)amino]-2-(2-phenylsulfanylethyl)pyridazin-3-one
CID 103223452
5-[2-aminoethyl(methyl)amino]-2-octylpyridazin-3-one
CID 103223346
3-[(6-aminoindazol-1-yl)methyl]pyridine-2-carbonitrile
CID 55128314
2-[(2-amino-4-chlorophenyl)methyl]-5-[methyl(propyl)amino]pyridazin-3-one
CID 114393646

Frequently Asked Questions

What is the IUPAC name of 3-[[4-[2-aminoethyl(methyl)amino]-6-oxopyridazin-1-yl]methyl]pyridine-2-carbonitrile?
The IUPAC name of 3-[[4-[2-aminoethyl(methyl)amino]-6-oxopyridazin-1-yl]methyl]pyridine-2-carbonitrile (CID 103223517) is 3-[[4-[2-aminoethyl(methyl)amino]-6-oxopyridazin-1-yl]methyl]pyridine-2-carbonitrile.
What is the SMILES notation for 3-[[4-[2-aminoethyl(methyl)amino]-6-oxopyridazin-1-yl]methyl]pyridine-2-carbonitrile?
The canonical SMILES for 3-[[4-[2-aminoethyl(methyl)amino]-6-oxopyridazin-1-yl]methyl]pyridine-2-carbonitrile is CN(CCN)c1cnn(Cc2cccnc2C#N)c(=O)c1.
What is the InChIKey of 3-[[4-[2-aminoethyl(methyl)amino]-6-oxopyridazin-1-yl]methyl]pyridine-2-carbonitrile?
The InChIKey is QIOQNNFVWULYAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N6O/c1-19(6-4-15)12-7-14(21)20(18-9-12)10-11-3-2-5-17-13(11)8-16/h2-3,5,7,9H,4,6,10,15H2,1H3.
What are the key properties of 3-[[4-[2-aminoethyl(methyl)amino]-6-oxopyridazin-1-yl]methyl]pyridine-2-carbonitrile?
3-[[4-[2-aminoethyl(methyl)amino]-6-oxopyridazin-1-yl]methyl]pyridine-2-carbonitrile has a molecular weight of 284.32 g/mol, XLogP of -0.05, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-[2-aminoethyl(methyl)amino]-6-oxopyridazin-1-yl]methyl]pyridine-2-carbonitrile is sourced from PubChem (CID 103223517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).