2-[(5-chloro-1-methyl-6-oxopyridazin-4-yl)amino]-3-methylbutanamide

C10H15ClN4O2 — CID 75432941

IUPAC2-[(5-chloro-1-methyl-6-oxopyridazin-4-yl)amino]-3-methylbutanamide
SMILESCC(C)C(Nc1cnn(C)c(=O)c1Cl)C(N)=O
InChIInChI=1S/C10H15ClN4O2/c1-5(2)8(9(12)16)14-6-4-13-15(3)10(17)7(6)11/h4-5,8,14H,1-3H3,(H2,12,16)
InChIKeyLWWCABBKUIRLQM-UHFFFAOYSA-N
MW258.71 g/mol
LogP0.36
Rot. Bonds4

About 2-[(5-chloro-1-methyl-6-oxopyridazin-4-yl)amino]-3-methylbutanamide

2-[(5-chloro-1-methyl-6-oxopyridazin-4-yl)amino]-3-methylbutanamide (PubChem CID 75432941) has the molecular formula C10H15ClN4O2 and a molecular weight of 258.71 g/mol. Its IUPAC name is 2-[(5-chloro-1-methyl-6-oxopyridazin-4-yl)amino]-3-methylbutanamide.

Molecular Properties

Compound Name2-[(5-chloro-1-methyl-6-oxopyridazin-4-yl)amino]-3-methylbutanamide
PubChem CID75432941
Molecular FormulaC10H15ClN4O2
Molecular Weight258.71 g/mol
Exact Mass258.09
IUPAC Name2-[(5-chloro-1-methyl-6-oxopyridazin-4-yl)amino]-3-methylbutanamide
SMILESCC(C)C(Nc1cnn(C)c(=O)c1Cl)C(N)=O
InChIInChI=1S/C10H15ClN4O2/c1-5(2)8(9(12)16)14-6-4-13-15(3)10(17)7(6)11/h4-5,8,14H,1-3H3,(H2,12,16)
InChIKeyLWWCABBKUIRLQM-UHFFFAOYSA-N
XLogP0.36
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.71
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloro-1-methyl-6-oxopyridazin-4-yl)amino]-3-methylbutanamide?
The IUPAC name of 2-[(5-chloro-1-methyl-6-oxopyridazin-4-yl)amino]-3-methylbutanamide (CID 75432941) is 2-[(5-chloro-1-methyl-6-oxopyridazin-4-yl)amino]-3-methylbutanamide.
What is the SMILES notation for 2-[(5-chloro-1-methyl-6-oxopyridazin-4-yl)amino]-3-methylbutanamide?
The canonical SMILES for 2-[(5-chloro-1-methyl-6-oxopyridazin-4-yl)amino]-3-methylbutanamide is CC(C)C(Nc1cnn(C)c(=O)c1Cl)C(N)=O.
What is the InChIKey of 2-[(5-chloro-1-methyl-6-oxopyridazin-4-yl)amino]-3-methylbutanamide?
The InChIKey is LWWCABBKUIRLQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN4O2/c1-5(2)8(9(12)16)14-6-4-13-15(3)10(17)7(6)11/h4-5,8,14H,1-3H3,(H2,12,16).
What are the key properties of 2-[(5-chloro-1-methyl-6-oxopyridazin-4-yl)amino]-3-methylbutanamide?
2-[(5-chloro-1-methyl-6-oxopyridazin-4-yl)amino]-3-methylbutanamide has a molecular weight of 258.71 g/mol, XLogP of 0.36, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloro-1-methyl-6-oxopyridazin-4-yl)amino]-3-methylbutanamide is sourced from PubChem (CID 75432941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).