4-[[4-(dimethylamino)-6-oxopyridazin-1-yl]methyl]-2-methoxybenzonitrile

C15H16N4O2 — CID 106788475

IUPAC4-[[4-(dimethylamino)-6-oxopyridazin-1-yl]methyl]-2-methoxybenzonitrile
SMILESCOc1cc(Cn2ncc(N(C)C)cc2=O)ccc1C#N
InChIInChI=1S/C15H16N4O2/c1-18(2)13-7-15(20)19(17-9-13)10-11-4-5-12(8-16)14(6-11)21-3/h4-7,9H,10H2,1-3H3
InChIKeyQMRMJVNRGDGJNO-UHFFFAOYSA-N
MW284.32 g/mol
LogP1.24
Rot. Bonds4

About 4-[[4-(dimethylamino)-6-oxopyridazin-1-yl]methyl]-2-methoxybenzonitrile

4-[[4-(dimethylamino)-6-oxopyridazin-1-yl]methyl]-2-methoxybenzonitrile (PubChem CID 106788475) has the molecular formula C15H16N4O2 and a molecular weight of 284.32 g/mol. Its IUPAC name is 4-[[4-(dimethylamino)-6-oxopyridazin-1-yl]methyl]-2-methoxybenzonitrile.

Molecular Properties

Compound Name4-[[4-(dimethylamino)-6-oxopyridazin-1-yl]methyl]-2-methoxybenzonitrile
PubChem CID106788475
Molecular FormulaC15H16N4O2
Molecular Weight284.32 g/mol
Exact Mass284.13
IUPAC Name4-[[4-(dimethylamino)-6-oxopyridazin-1-yl]methyl]-2-methoxybenzonitrile
SMILESCOc1cc(Cn2ncc(N(C)C)cc2=O)ccc1C#N
InChIInChI=1S/C15H16N4O2/c1-18(2)13-7-15(20)19(17-9-13)10-11-4-5-12(8-16)14(6-11)21-3/h4-7,9H,10H2,1-3H3
InChIKeyQMRMJVNRGDGJNO-UHFFFAOYSA-N
XLogP1.24
TPSA71.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[(4,5-dichloro-6-oxopyridazin-1-yl)methyl]-2-methoxybenzonitrile
CID 106793163
4-(indazol-1-ylmethyl)-2-methoxybenzonitrile
CID 106788410
2-[(4-bromophenyl)methyl]-5-(dimethylamino)pyridazin-3-one
CID 114396882
2-[(5-amino-2-methoxyphenyl)methyl]-5-(dimethylamino)pyridazin-3-one
CID 114393496
4-[[4-(dimethylamino)-6-oxopyridazin-1-yl]methyl]-N-methylbenzamide
CID 72893419
4-[[4-(dimethylamino)-6-oxopyridazin-1-yl]methyl]benzohydrazide
CID 114398355
2-[(4-bromo-3-nitrophenyl)methyl]-5-(dimethylamino)pyridazin-3-one
CID 114395531
5-[[4-(dimethylamino)-6-oxopyridazin-1-yl]methyl]-2-fluorobenzoic acid
CID 107881028
4-[(2,4-dioxo-1H-pyrimidin-3-yl)methyl]-2-methoxybenzonitrile
CID 107103957
4-[(3-aminopyrazol-1-yl)methyl]-2-methoxybenzonitrile
CID 106787922
5-(indazol-1-ylmethyl)-2-methoxybenzonitrile
CID 65344079
5-(dimethylamino)-2-[[2-(2-methoxyphenyl)-1,3-thiazol-5-yl]methyl]pyridazin-3-one
CID 72857210

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(dimethylamino)-6-oxopyridazin-1-yl]methyl]-2-methoxybenzonitrile?
The IUPAC name of 4-[[4-(dimethylamino)-6-oxopyridazin-1-yl]methyl]-2-methoxybenzonitrile (CID 106788475) is 4-[[4-(dimethylamino)-6-oxopyridazin-1-yl]methyl]-2-methoxybenzonitrile.
What is the SMILES notation for 4-[[4-(dimethylamino)-6-oxopyridazin-1-yl]methyl]-2-methoxybenzonitrile?
The canonical SMILES for 4-[[4-(dimethylamino)-6-oxopyridazin-1-yl]methyl]-2-methoxybenzonitrile is COc1cc(Cn2ncc(N(C)C)cc2=O)ccc1C#N.
What is the InChIKey of 4-[[4-(dimethylamino)-6-oxopyridazin-1-yl]methyl]-2-methoxybenzonitrile?
The InChIKey is QMRMJVNRGDGJNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O2/c1-18(2)13-7-15(20)19(17-9-13)10-11-4-5-12(8-16)14(6-11)21-3/h4-7,9H,10H2,1-3H3.
What are the key properties of 4-[[4-(dimethylamino)-6-oxopyridazin-1-yl]methyl]-2-methoxybenzonitrile?
4-[[4-(dimethylamino)-6-oxopyridazin-1-yl]methyl]-2-methoxybenzonitrile has a molecular weight of 284.32 g/mol, XLogP of 1.24, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(dimethylamino)-6-oxopyridazin-1-yl]methyl]-2-methoxybenzonitrile is sourced from PubChem (CID 106788475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).