6-amino-N-(2-cyanoethyl)-N-(2-methylpropyl)pyridazine-3-carboxamide

C12H17N5O — CID 62160013

IUPAC6-amino-N-(2-cyanoethyl)-N-(2-methylpropyl)pyridazine-3-carboxamide
SMILESCC(C)CN(CCC#N)C(=O)c1ccc(N)nn1
InChIInChI=1S/C12H17N5O/c1-9(2)8-17(7-3-6-13)12(18)10-4-5-11(14)16-15-10/h4-5,9H,3,7-8H2,1-2H3,(H2,14,16)
InChIKeyHMBLARWJGSNYLL-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.07
Rot. Bonds5

About 6-amino-N-(2-cyanoethyl)-N-(2-methylpropyl)pyridazine-3-carboxamide

6-amino-N-(2-cyanoethyl)-N-(2-methylpropyl)pyridazine-3-carboxamide (PubChem CID 62160013) has the molecular formula C12H17N5O and a molecular weight of 247.30 g/mol. Its IUPAC name is 6-amino-N-(2-cyanoethyl)-N-(2-methylpropyl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-amino-N-(2-cyanoethyl)-N-(2-methylpropyl)pyridazine-3-carboxamide
PubChem CID62160013
Molecular FormulaC12H17N5O
Molecular Weight247.30 g/mol
Exact Mass247.14
IUPAC Name6-amino-N-(2-cyanoethyl)-N-(2-methylpropyl)pyridazine-3-carboxamide
SMILESCC(C)CN(CCC#N)C(=O)c1ccc(N)nn1
InChIInChI=1S/C12H17N5O/c1-9(2)8-17(7-3-6-13)12(18)10-4-5-11(14)16-15-10/h4-5,9H,3,7-8H2,1-2H3,(H2,14,16)
InChIKeyHMBLARWJGSNYLL-UHFFFAOYSA-N
XLogP1.07
TPSA95.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-amino-N-(2-cyanoethyl)-N-cyclopropylpyridazine-3-carboxamide
CID 62159894
2-amino-6-chloro-N-(2-cyanoethyl)-N-(2-methylpropyl)pyridine-4-carboxamide
CID 62162054
4-amino-N-(2-cyanoethyl)-3-hydroxy-N-(2-methylpropyl)benzamide
CID 107074624
2-amino-N-(2-cyanoethyl)-3-fluoro-N-(2-methylpropyl)benzamide
CID 62662075
N-(2-cyanoethyl)-4-(dimethylamino)-N-(2-methylpropyl)benzamide
CID 60654474
N-(2-cyanoethyl)-N-ethyl-6-hydrazinylpyridazine-3-carboxamide
CID 62248946
ethyl 4-[2-cyanoethyl(2-methylpropyl)carbamoyl]-1,3-thiazole-2-carboxylate
CID 116697911
5-amino-N-(2-cyanoethyl)-2-methyl-N-(2-methylpropyl)pyridine-3-carboxamide
CID 61114721
2-bromo-N-(2-cyanoethyl)-N-(2-methylpropyl)benzamide
CID 60654639
4-amino-N-(2-cyanoethyl)-1-methyl-N-(2-methylpropyl)pyrrole-2-carboxamide
CID 61113965
N-(2-cyanoethyl)-5-(methylamino)-N-(2-methylpropyl)-1,3,4-thiadiazole-2-carboxamide
CID 80615747
5-amino-N-(2-cyanoethyl)-2,4-difluoro-N-(2-methylpropyl)benzamide
CID 61115858

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-(2-cyanoethyl)-N-(2-methylpropyl)pyridazine-3-carboxamide?
The IUPAC name of 6-amino-N-(2-cyanoethyl)-N-(2-methylpropyl)pyridazine-3-carboxamide (CID 62160013) is 6-amino-N-(2-cyanoethyl)-N-(2-methylpropyl)pyridazine-3-carboxamide.
What is the SMILES notation for 6-amino-N-(2-cyanoethyl)-N-(2-methylpropyl)pyridazine-3-carboxamide?
The canonical SMILES for 6-amino-N-(2-cyanoethyl)-N-(2-methylpropyl)pyridazine-3-carboxamide is CC(C)CN(CCC#N)C(=O)c1ccc(N)nn1.
What is the InChIKey of 6-amino-N-(2-cyanoethyl)-N-(2-methylpropyl)pyridazine-3-carboxamide?
The InChIKey is HMBLARWJGSNYLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O/c1-9(2)8-17(7-3-6-13)12(18)10-4-5-11(14)16-15-10/h4-5,9H,3,7-8H2,1-2H3,(H2,14,16).
What are the key properties of 6-amino-N-(2-cyanoethyl)-N-(2-methylpropyl)pyridazine-3-carboxamide?
6-amino-N-(2-cyanoethyl)-N-(2-methylpropyl)pyridazine-3-carboxamide has a molecular weight of 247.30 g/mol, XLogP of 1.07, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-(2-cyanoethyl)-N-(2-methylpropyl)pyridazine-3-carboxamide is sourced from PubChem (CID 62160013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).