2-[(4-cyano-5,6-diethylpyridazin-3-yl)amino]-N-methylacetamide

C12H17N5O — CID 80509499

IUPAC2-[(4-cyano-5,6-diethylpyridazin-3-yl)amino]-N-methylacetamide
SMILESCCc1nnc(NCC(=O)NC)c(C#N)c1CC
InChIInChI=1S/C12H17N5O/c1-4-8-9(6-13)12(15-7-11(18)14-3)17-16-10(8)5-2/h4-5,7H2,1-3H3,(H,14,18)(H,15,17)
InChIKeyIUIJWXXHKVQJNU-UHFFFAOYSA-N
MW247.30 g/mol
LogP0.63
Rot. Bonds5

About 2-[(4-cyano-5,6-diethylpyridazin-3-yl)amino]-N-methylacetamide

2-[(4-cyano-5,6-diethylpyridazin-3-yl)amino]-N-methylacetamide (PubChem CID 80509499) has the molecular formula C12H17N5O and a molecular weight of 247.30 g/mol. Its IUPAC name is 2-[(4-cyano-5,6-diethylpyridazin-3-yl)amino]-N-methylacetamide.

Molecular Properties

Compound Name2-[(4-cyano-5,6-diethylpyridazin-3-yl)amino]-N-methylacetamide
PubChem CID80509499
Molecular FormulaC12H17N5O
Molecular Weight247.30 g/mol
Exact Mass247.14
IUPAC Name2-[(4-cyano-5,6-diethylpyridazin-3-yl)amino]-N-methylacetamide
SMILESCCc1nnc(NCC(=O)NC)c(C#N)c1CC
InChIInChI=1S/C12H17N5O/c1-4-8-9(6-13)12(15-7-11(18)14-3)17-16-10(8)5-2/h4-5,7H2,1-3H3,(H,14,18)(H,15,17)
InChIKeyIUIJWXXHKVQJNU-UHFFFAOYSA-N
XLogP0.63
TPSA90.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[(4-cyano-5,6-diethylpyridazin-3-yl)amino]acetate
CID 80509437
2-[(4-cyano-5,6-diethylpyridazin-3-yl)amino]ethylurea
CID 80527134
3-[(4-cyano-5,6-diethylpyridazin-3-yl)amino]-2,2-dimethylpropanoic acid
CID 115427688
4-[(4-cyano-5,6-diethylpyridazin-3-yl)amino]butanoic acid
CID 80508019
5-[(4-cyano-5,6-diethylpyridazin-3-yl)amino]pentanamide
CID 106236890
3-[[(4-cyano-5,6-diethylpyridazin-3-yl)amino]methyl]pentanoic acid
CID 81065330
5,6-diethyl-3-(prop-2-ynylamino)pyridazine-4-carbonitrile
CID 80509398
3-[(4-cyano-5,6-diethylpyridazin-3-yl)amino]-N,N-dimethylpropanamide
CID 80510567
5,6-diethyl-3-(2-methylsulfanylethylamino)pyridazine-4-carbonitrile
CID 80509565
tert-butyl N-[2-[(4-cyano-5,6-diethylpyridazin-3-yl)amino]ethyl]carbamate
CID 103756562
3-[(2,3-dihydroxy-2-methylpropyl)amino]-5,6-diethylpyridazine-4-carbonitrile
CID 80514396
5,6-diethyl-3-(2-ethylsulfinylethylamino)pyridazine-4-carbonitrile
CID 115693824

Frequently Asked Questions

What is the IUPAC name of 2-[(4-cyano-5,6-diethylpyridazin-3-yl)amino]-N-methylacetamide?
The IUPAC name of 2-[(4-cyano-5,6-diethylpyridazin-3-yl)amino]-N-methylacetamide (CID 80509499) is 2-[(4-cyano-5,6-diethylpyridazin-3-yl)amino]-N-methylacetamide.
What is the SMILES notation for 2-[(4-cyano-5,6-diethylpyridazin-3-yl)amino]-N-methylacetamide?
The canonical SMILES for 2-[(4-cyano-5,6-diethylpyridazin-3-yl)amino]-N-methylacetamide is CCc1nnc(NCC(=O)NC)c(C#N)c1CC.
What is the InChIKey of 2-[(4-cyano-5,6-diethylpyridazin-3-yl)amino]-N-methylacetamide?
The InChIKey is IUIJWXXHKVQJNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O/c1-4-8-9(6-13)12(15-7-11(18)14-3)17-16-10(8)5-2/h4-5,7H2,1-3H3,(H,14,18)(H,15,17).
What are the key properties of 2-[(4-cyano-5,6-diethylpyridazin-3-yl)amino]-N-methylacetamide?
2-[(4-cyano-5,6-diethylpyridazin-3-yl)amino]-N-methylacetamide has a molecular weight of 247.30 g/mol, XLogP of 0.63, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-cyano-5,6-diethylpyridazin-3-yl)amino]-N-methylacetamide is sourced from PubChem (CID 80509499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).