3-[(5-chloro-6-oxo-1H-pyridazin-4-yl)amino]-N-methylpropanamide

C8H11ClN4O2 — CID 80746725

IUPAC3-[(5-chloro-6-oxo-1H-pyridazin-4-yl)amino]-N-methylpropanamide
SMILESCNC(=O)CCNc1cn[nH]c(=O)c1Cl
InChIInChI=1S/C8H11ClN4O2/c1-10-6(14)2-3-11-5-4-12-13-8(15)7(5)9/h4H,2-3H2,1H3,(H,10,14)(H2,11,13,15)
InChIKeyCSSOHUTTWINAQJ-UHFFFAOYSA-N
MW230.65 g/mol
LogP-0.03
Rot. Bonds4

About 3-[(5-chloro-6-oxo-1H-pyridazin-4-yl)amino]-N-methylpropanamide

3-[(5-chloro-6-oxo-1H-pyridazin-4-yl)amino]-N-methylpropanamide (PubChem CID 80746725) has the molecular formula C8H11ClN4O2 and a molecular weight of 230.65 g/mol. Its IUPAC name is 3-[(5-chloro-6-oxo-1H-pyridazin-4-yl)amino]-N-methylpropanamide.

Molecular Properties

Compound Name3-[(5-chloro-6-oxo-1H-pyridazin-4-yl)amino]-N-methylpropanamide
PubChem CID80746725
Molecular FormulaC8H11ClN4O2
Molecular Weight230.65 g/mol
Exact Mass230.06
IUPAC Name3-[(5-chloro-6-oxo-1H-pyridazin-4-yl)amino]-N-methylpropanamide
SMILESCNC(=O)CCNc1cn[nH]c(=O)c1Cl
InChIInChI=1S/C8H11ClN4O2/c1-10-6(14)2-3-11-5-4-12-13-8(15)7(5)9/h4H,2-3H2,1H3,(H,10,14)(H2,11,13,15)
InChIKeyCSSOHUTTWINAQJ-UHFFFAOYSA-N
XLogP-0.03
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.65
LogP ≤ 5-0.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(5-chloro-6-oxo-1H-pyridazin-4-yl)amino]-N-methylpropanamide?
The IUPAC name of 3-[(5-chloro-6-oxo-1H-pyridazin-4-yl)amino]-N-methylpropanamide (CID 80746725) is 3-[(5-chloro-6-oxo-1H-pyridazin-4-yl)amino]-N-methylpropanamide.
What is the SMILES notation for 3-[(5-chloro-6-oxo-1H-pyridazin-4-yl)amino]-N-methylpropanamide?
The canonical SMILES for 3-[(5-chloro-6-oxo-1H-pyridazin-4-yl)amino]-N-methylpropanamide is CNC(=O)CCNc1cn[nH]c(=O)c1Cl.
What is the InChIKey of 3-[(5-chloro-6-oxo-1H-pyridazin-4-yl)amino]-N-methylpropanamide?
The InChIKey is CSSOHUTTWINAQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClN4O2/c1-10-6(14)2-3-11-5-4-12-13-8(15)7(5)9/h4H,2-3H2,1H3,(H,10,14)(H2,11,13,15).
What are the key properties of 3-[(5-chloro-6-oxo-1H-pyridazin-4-yl)amino]-N-methylpropanamide?
3-[(5-chloro-6-oxo-1H-pyridazin-4-yl)amino]-N-methylpropanamide has a molecular weight of 230.65 g/mol, XLogP of -0.03, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-chloro-6-oxo-1H-pyridazin-4-yl)amino]-N-methylpropanamide is sourced from PubChem (CID 80746725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).