N,N-bis(cyanomethyl)-6-(methylamino)pyridazine-3-carboxamide

C10H10N6O — CID 62186917

IUPACN,N-bis(cyanomethyl)-6-(methylamino)pyridazine-3-carboxamide
SMILESCNc1ccc(C(=O)N(CC#N)CC#N)nn1
InChIInChI=1S/C10H10N6O/c1-13-9-3-2-8(14-15-9)10(17)16(6-4-11)7-5-12/h2-3H,6-7H2,1H3,(H,13,15)
InChIKeyTVYLXGRGIMBFCK-UHFFFAOYSA-N
MW230.23 g/mol
LogP0.01
Rot. Bonds4

About N,N-bis(cyanomethyl)-6-(methylamino)pyridazine-3-carboxamide

N,N-bis(cyanomethyl)-6-(methylamino)pyridazine-3-carboxamide (PubChem CID 62186917) has the molecular formula C10H10N6O and a molecular weight of 230.23 g/mol. Its IUPAC name is N,N-bis(cyanomethyl)-6-(methylamino)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN,N-bis(cyanomethyl)-6-(methylamino)pyridazine-3-carboxamide
PubChem CID62186917
Molecular FormulaC10H10N6O
Molecular Weight230.23 g/mol
Exact Mass230.09
IUPAC NameN,N-bis(cyanomethyl)-6-(methylamino)pyridazine-3-carboxamide
SMILESCNc1ccc(C(=O)N(CC#N)CC#N)nn1
InChIInChI=1S/C10H10N6O/c1-13-9-3-2-8(14-15-9)10(17)16(6-4-11)7-5-12/h2-3H,6-7H2,1H3,(H,13,15)
InChIKeyTVYLXGRGIMBFCK-UHFFFAOYSA-N
XLogP0.01
TPSA105.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.23
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanamide', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-6-(methylamino)-N-(2-methylpropyl)pyridazine-3-carboxamide
CID 62168964
N-[3-(dimethylamino)propyl]-N-ethyl-6-(methylamino)pyridazine-3-carboxamide
CID 102996743
N-(2-hydroxyethyl)-N-methyl-6-(methylamino)pyridazine-3-carboxamide
CID 62180605
N-(2-ethoxyethyl)-N-ethyl-6-(methylamino)pyridazine-3-carboxamide
CID 63691498
N-(2-cyanoethyl)-N-ethyl-6-hydrazinylpyridazine-3-carboxamide
CID 62248946
N-(2-methoxyethyl)-6-(methylamino)-N-(2-methylpropyl)pyridazine-3-carboxamide
CID 62180313
N-cyclopropyl-N-ethyl-6-(methylamino)pyridazine-3-carboxamide
CID 62168086
N-cyclohexyl-N-ethyl-6-(methylamino)pyridazine-3-carboxamide
CID 55042606
N-(2-fluoroethyl)-6-(methylamino)pyridazine-3-carboxamide
CID 130504947
5-cyano-N,N-bis(cyanomethyl)pyridine-2-carboxamide
CID 63718638
N,N-bis(cyanomethyl)-6-methyl-4-(methylamino)pyridine-3-carboxamide
CID 81234794
6-(ethylamino)-N,N-dipropylpyridazine-3-carboxamide
CID 62165114

Frequently Asked Questions

What is the IUPAC name of N,N-bis(cyanomethyl)-6-(methylamino)pyridazine-3-carboxamide?
The IUPAC name of N,N-bis(cyanomethyl)-6-(methylamino)pyridazine-3-carboxamide (CID 62186917) is N,N-bis(cyanomethyl)-6-(methylamino)pyridazine-3-carboxamide.
What is the SMILES notation for N,N-bis(cyanomethyl)-6-(methylamino)pyridazine-3-carboxamide?
The canonical SMILES for N,N-bis(cyanomethyl)-6-(methylamino)pyridazine-3-carboxamide is CNc1ccc(C(=O)N(CC#N)CC#N)nn1.
What is the InChIKey of N,N-bis(cyanomethyl)-6-(methylamino)pyridazine-3-carboxamide?
The InChIKey is TVYLXGRGIMBFCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N6O/c1-13-9-3-2-8(14-15-9)10(17)16(6-4-11)7-5-12/h2-3H,6-7H2,1H3,(H,13,15).
What are the key properties of N,N-bis(cyanomethyl)-6-(methylamino)pyridazine-3-carboxamide?
N,N-bis(cyanomethyl)-6-(methylamino)pyridazine-3-carboxamide has a molecular weight of 230.23 g/mol, XLogP of 0.01, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(cyanomethyl)-6-(methylamino)pyridazine-3-carboxamide is sourced from PubChem (CID 62186917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).