2-[4-(methylamino)-6-oxopyridazin-1-yl]acetonitrile

C7H8N4O — CID 103218454

IUPAC2-[4-(methylamino)-6-oxopyridazin-1-yl]acetonitrile
SMILESCNc1cnn(CC#N)c(=O)c1
InChIInChI=1S/C7H8N4O/c1-9-6-4-7(12)11(3-2-8)10-5-6/h4-5,9H,3H2,1H3
InChIKeyOFPMIGFVFIBYGD-UHFFFAOYSA-N
MW164.17 g/mol
LogP-0.19
Rot. Bonds2

About 2-[4-(methylamino)-6-oxopyridazin-1-yl]acetonitrile

2-[4-(methylamino)-6-oxopyridazin-1-yl]acetonitrile (PubChem CID 103218454) has the molecular formula C7H8N4O and a molecular weight of 164.17 g/mol. Its IUPAC name is 2-[4-(methylamino)-6-oxopyridazin-1-yl]acetonitrile.

Molecular Properties

Compound Name2-[4-(methylamino)-6-oxopyridazin-1-yl]acetonitrile
PubChem CID103218454
Molecular FormulaC7H8N4O
Molecular Weight164.17 g/mol
Exact Mass164.07
IUPAC Name2-[4-(methylamino)-6-oxopyridazin-1-yl]acetonitrile
SMILESCNc1cnn(CC#N)c(=O)c1
InChIInChI=1S/C7H8N4O/c1-9-6-4-7(12)11(3-2-8)10-5-6/h4-5,9H,3H2,1H3
InChIKeyOFPMIGFVFIBYGD-UHFFFAOYSA-N
XLogP-0.19
TPSA70.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.17
LogP ≤ 5-0.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-Amino-2-methyl-2,3-dihydropyridazin-3-one
CID 10558626
5-(Methylamino)-2,3-dihydropyridazin-3-one
CID 21691755
5-(Dimethylamino)-2-[2-(2,2,2-trifluoroethylamino)ethyl]pyridazin-3-one
CID 114397459
5-Amino-2-propan-2-ylpyridazin-3-one
CID 20513821
2-Methyl-5-(piperazin-1-yl)pyridazin-3(2H)-one
CID 28065107
5-(Ethylamino)-2,3-dihydropyridazin-3-one
CID 68165175
2-Chloro-5-(propylamino)pyridazin-3-one
CID 87370947
4-Methanimidoyl-5-(methylamino)-2-prop-2-enylpyridazin-3-one
CID 156187890
N-(1-methyl-6-oxopyridazin-4-yl)propanamide
CID 170387108
5-(Ethylamino)-2-methylpyridazin-3-one
CID 10487061
2-Methyl-5-(methylamino)pyridazin-3(2H)-one
CID 10510928
5-(Methylamino)-2,3-dihydropyridazin-3-one hydrochloride
CID 56828063

Frequently Asked Questions

What is the IUPAC name of 2-[4-(methylamino)-6-oxopyridazin-1-yl]acetonitrile?
The IUPAC name of 2-[4-(methylamino)-6-oxopyridazin-1-yl]acetonitrile (CID 103218454) is 2-[4-(methylamino)-6-oxopyridazin-1-yl]acetonitrile.
What is the SMILES notation for 2-[4-(methylamino)-6-oxopyridazin-1-yl]acetonitrile?
The canonical SMILES for 2-[4-(methylamino)-6-oxopyridazin-1-yl]acetonitrile is CNc1cnn(CC#N)c(=O)c1.
What is the InChIKey of 2-[4-(methylamino)-6-oxopyridazin-1-yl]acetonitrile?
The InChIKey is OFPMIGFVFIBYGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N4O/c1-9-6-4-7(12)11(3-2-8)10-5-6/h4-5,9H,3H2,1H3.
What are the key properties of 2-[4-(methylamino)-6-oxopyridazin-1-yl]acetonitrile?
2-[4-(methylamino)-6-oxopyridazin-1-yl]acetonitrile has a molecular weight of 164.17 g/mol, XLogP of -0.19, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(methylamino)-6-oxopyridazin-1-yl]acetonitrile is sourced from PubChem (CID 103218454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).