2-[[5-chloro-2-(cyclopropylmethyl)-3-oxopyridazin-4-yl]amino]-N-methylpropanamide

C12H17ClN4O2 — CID 114435337

IUPAC2-[[5-chloro-2-(cyclopropylmethyl)-3-oxopyridazin-4-yl]amino]-N-methylpropanamide
SMILESCNC(=O)C(C)Nc1c(Cl)cnn(CC2CC2)c1=O
InChIInChI=1S/C12H17ClN4O2/c1-7(11(18)14-2)16-10-9(13)5-15-17(12(10)19)6-8-3-4-8/h5,7-8,16H,3-4,6H2,1-2H3,(H,14,18)
InChIKeyALAFDKADOFPLJI-UHFFFAOYSA-N
MW284.75 g/mol
LogP0.85
Rot. Bonds5

About 2-[[5-chloro-2-(cyclopropylmethyl)-3-oxopyridazin-4-yl]amino]-N-methylpropanamide

2-[[5-chloro-2-(cyclopropylmethyl)-3-oxopyridazin-4-yl]amino]-N-methylpropanamide (PubChem CID 114435337) has the molecular formula C12H17ClN4O2 and a molecular weight of 284.75 g/mol. Its IUPAC name is 2-[[5-chloro-2-(cyclopropylmethyl)-3-oxopyridazin-4-yl]amino]-N-methylpropanamide.

Molecular Properties

Compound Name2-[[5-chloro-2-(cyclopropylmethyl)-3-oxopyridazin-4-yl]amino]-N-methylpropanamide
PubChem CID114435337
Molecular FormulaC12H17ClN4O2
Molecular Weight284.75 g/mol
Exact Mass284.10
IUPAC Name2-[[5-chloro-2-(cyclopropylmethyl)-3-oxopyridazin-4-yl]amino]-N-methylpropanamide
SMILESCNC(=O)C(C)Nc1c(Cl)cnn(CC2CC2)c1=O
InChIInChI=1S/C12H17ClN4O2/c1-7(11(18)14-2)16-10-9(13)5-15-17(12(10)19)6-8-3-4-8/h5,7-8,16H,3-4,6H2,1-2H3,(H,14,18)
InChIKeyALAFDKADOFPLJI-UHFFFAOYSA-N
XLogP0.85
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.75
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-chloro-2-(cyclopropylmethyl)-3-oxopyridazin-4-yl]amino]-N-methylpropanamide?
The IUPAC name of 2-[[5-chloro-2-(cyclopropylmethyl)-3-oxopyridazin-4-yl]amino]-N-methylpropanamide (CID 114435337) is 2-[[5-chloro-2-(cyclopropylmethyl)-3-oxopyridazin-4-yl]amino]-N-methylpropanamide.
What is the SMILES notation for 2-[[5-chloro-2-(cyclopropylmethyl)-3-oxopyridazin-4-yl]amino]-N-methylpropanamide?
The canonical SMILES for 2-[[5-chloro-2-(cyclopropylmethyl)-3-oxopyridazin-4-yl]amino]-N-methylpropanamide is CNC(=O)C(C)Nc1c(Cl)cnn(CC2CC2)c1=O.
What is the InChIKey of 2-[[5-chloro-2-(cyclopropylmethyl)-3-oxopyridazin-4-yl]amino]-N-methylpropanamide?
The InChIKey is ALAFDKADOFPLJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN4O2/c1-7(11(18)14-2)16-10-9(13)5-15-17(12(10)19)6-8-3-4-8/h5,7-8,16H,3-4,6H2,1-2H3,(H,14,18).
What are the key properties of 2-[[5-chloro-2-(cyclopropylmethyl)-3-oxopyridazin-4-yl]amino]-N-methylpropanamide?
2-[[5-chloro-2-(cyclopropylmethyl)-3-oxopyridazin-4-yl]amino]-N-methylpropanamide has a molecular weight of 284.75 g/mol, XLogP of 0.85, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-chloro-2-(cyclopropylmethyl)-3-oxopyridazin-4-yl]amino]-N-methylpropanamide is sourced from PubChem (CID 114435337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).