3-chloro-6-(2,2-dimethylpropanoylamino)pyridazine-4-carboxamide

C10H13ClN4O2 — CID 172694751

IUPAC3-chloro-6-(2,2-dimethylpropanoylamino)pyridazine-4-carboxamide
SMILESCC(C)(C)C(=O)Nc1cc(C(N)=O)c(Cl)nn1
InChIInChI=1S/C10H13ClN4O2/c1-10(2,3)9(17)13-6-4-5(8(12)16)7(11)15-14-6/h4H,1-3H3,(H2,12,16)(H,13,14,17)
InChIKeyCEBVFIIDVOYYMX-UHFFFAOYSA-N
MW256.69 g/mol
LogP1.21
Rot. Bonds2

About 3-chloro-6-(2,2-dimethylpropanoylamino)pyridazine-4-carboxamide

3-chloro-6-(2,2-dimethylpropanoylamino)pyridazine-4-carboxamide (PubChem CID 172694751) has the molecular formula C10H13ClN4O2 and a molecular weight of 256.69 g/mol. Its IUPAC name is 3-chloro-6-(2,2-dimethylpropanoylamino)pyridazine-4-carboxamide.

Molecular Properties

Compound Name3-chloro-6-(2,2-dimethylpropanoylamino)pyridazine-4-carboxamide
PubChem CID172694751
Molecular FormulaC10H13ClN4O2
Molecular Weight256.69 g/mol
Exact Mass256.07
IUPAC Name3-chloro-6-(2,2-dimethylpropanoylamino)pyridazine-4-carboxamide
SMILESCC(C)(C)C(=O)Nc1cc(C(N)=O)c(Cl)nn1
InChIInChI=1S/C10H13ClN4O2/c1-10(2,3)9(17)13-6-4-5(8(12)16)7(11)15-14-6/h4H,1-3H3,(H2,12,16)(H,13,14,17)
InChIKeyCEBVFIIDVOYYMX-UHFFFAOYSA-N
XLogP1.21
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.69
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-(2,2-dimethylpropanoylamino)pyridazine-4-carboxamide?
The IUPAC name of 3-chloro-6-(2,2-dimethylpropanoylamino)pyridazine-4-carboxamide (CID 172694751) is 3-chloro-6-(2,2-dimethylpropanoylamino)pyridazine-4-carboxamide.
What is the SMILES notation for 3-chloro-6-(2,2-dimethylpropanoylamino)pyridazine-4-carboxamide?
The canonical SMILES for 3-chloro-6-(2,2-dimethylpropanoylamino)pyridazine-4-carboxamide is CC(C)(C)C(=O)Nc1cc(C(N)=O)c(Cl)nn1.
What is the InChIKey of 3-chloro-6-(2,2-dimethylpropanoylamino)pyridazine-4-carboxamide?
The InChIKey is CEBVFIIDVOYYMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN4O2/c1-10(2,3)9(17)13-6-4-5(8(12)16)7(11)15-14-6/h4H,1-3H3,(H2,12,16)(H,13,14,17).
What are the key properties of 3-chloro-6-(2,2-dimethylpropanoylamino)pyridazine-4-carboxamide?
3-chloro-6-(2,2-dimethylpropanoylamino)pyridazine-4-carboxamide has a molecular weight of 256.69 g/mol, XLogP of 1.21, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-(2,2-dimethylpropanoylamino)pyridazine-4-carboxamide is sourced from PubChem (CID 172694751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).