2-methyl-3-(pyridazin-3-ylmethylamino)propanamide

C9H14N4O — CID 106895597

IUPAC2-methyl-3-(pyridazin-3-ylmethylamino)propanamide
SMILESCC(CNCc1cccnn1)C(N)=O
InChIInChI=1S/C9H14N4O/c1-7(9(10)14)5-11-6-8-3-2-4-12-13-8/h2-4,7,11H,5-6H2,1H3,(H2,10,14)
InChIKeyNBULLRUCCPRHDD-UHFFFAOYSA-N
MW194.24 g/mol
LogP-0.31
Rot. Bonds5

About 2-methyl-3-(pyridazin-3-ylmethylamino)propanamide

2-methyl-3-(pyridazin-3-ylmethylamino)propanamide (PubChem CID 106895597) has the molecular formula C9H14N4O and a molecular weight of 194.24 g/mol. Its IUPAC name is 2-methyl-3-(pyridazin-3-ylmethylamino)propanamide.

Molecular Properties

Compound Name2-methyl-3-(pyridazin-3-ylmethylamino)propanamide
PubChem CID106895597
Molecular FormulaC9H14N4O
Molecular Weight194.24 g/mol
Exact Mass194.12
IUPAC Name2-methyl-3-(pyridazin-3-ylmethylamino)propanamide
SMILESCC(CNCc1cccnn1)C(N)=O
InChIInChI=1S/C9H14N4O/c1-7(9(10)14)5-11-6-8-3-2-4-12-13-8/h2-4,7,11H,5-6H2,1H3,(H2,10,14)
InChIKeyNBULLRUCCPRHDD-UHFFFAOYSA-N
XLogP-0.31
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.24
LogP ≤ 5-0.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-3-(pyridazin-3-ylmethylamino)propanoic acid
CID 106895586
2-methoxy-N-(pyridazin-3-ylmethyl)propan-1-amine
CID 106895779
2-chloro-N-(pyridazin-3-ylmethyl)propanamide
CID 106895464
N-methyl-N-propan-2-yl-2-(pyridazin-3-ylmethylamino)acetamide
CID 106895876
2-methyl-3-[(1-methylpyrazol-3-yl)methylamino]propanamide
CID 82881515
tert-butyl N-[3-methyl-2-[(pyridazin-3-ylmethylamino)methyl]butyl]carbamate
CID 107442905
methyl 2-(pyridazin-3-ylmethylamino)butanoate
CID 106895144
methyl 2-methyl-3-(pyridin-2-ylmethylamino)propanoate
CID 43398410
(2S)-3-methyl-2-(pyridazin-3-ylmethylcarbamoylamino)butanoic acid
CID 106897193
2-methyl-3-(thiophen-2-ylmethylamino)propanamide
CID 43312177
3-methyl-4-(pyridazin-3-ylmethylcarbamoylamino)butanoic acid
CID 106897084
2-amino-3,3-dimethyl-N-(pyridazin-3-ylmethyl)butanamide
CID 106896139

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(pyridazin-3-ylmethylamino)propanamide?
The IUPAC name of 2-methyl-3-(pyridazin-3-ylmethylamino)propanamide (CID 106895597) is 2-methyl-3-(pyridazin-3-ylmethylamino)propanamide.
What is the SMILES notation for 2-methyl-3-(pyridazin-3-ylmethylamino)propanamide?
The canonical SMILES for 2-methyl-3-(pyridazin-3-ylmethylamino)propanamide is CC(CNCc1cccnn1)C(N)=O.
What is the InChIKey of 2-methyl-3-(pyridazin-3-ylmethylamino)propanamide?
The InChIKey is NBULLRUCCPRHDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O/c1-7(9(10)14)5-11-6-8-3-2-4-12-13-8/h2-4,7,11H,5-6H2,1H3,(H2,10,14).
What are the key properties of 2-methyl-3-(pyridazin-3-ylmethylamino)propanamide?
2-methyl-3-(pyridazin-3-ylmethylamino)propanamide has a molecular weight of 194.24 g/mol, XLogP of -0.31, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(pyridazin-3-ylmethylamino)propanamide is sourced from PubChem (CID 106895597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).