1-(6-chloropyridazin-3-yl)azetidine-3-carboxamide

C8H9ClN4O — CID 131007108

IUPAC1-(6-chloropyridazin-3-yl)azetidine-3-carboxamide
SMILESNC(=O)C1CN(c2ccc(Cl)nn2)C1
InChIInChI=1S/C8H9ClN4O/c9-6-1-2-7(12-11-6)13-3-5(4-13)8(10)14/h1-2,5H,3-4H2,(H2,10,14)
InChIKeyNFWHINAYOWOPAW-UHFFFAOYSA-N
MW212.64 g/mol
LogP0.05
Rot. Bonds2

About 1-(6-chloropyridazin-3-yl)azetidine-3-carboxamide

1-(6-chloropyridazin-3-yl)azetidine-3-carboxamide (PubChem CID 131007108) has the molecular formula C8H9ClN4O and a molecular weight of 212.64 g/mol. Its IUPAC name is 1-(6-chloropyridazin-3-yl)azetidine-3-carboxamide.

Molecular Properties

Compound Name1-(6-chloropyridazin-3-yl)azetidine-3-carboxamide
PubChem CID131007108
Molecular FormulaC8H9ClN4O
Molecular Weight212.64 g/mol
Exact Mass212.05
IUPAC Name1-(6-chloropyridazin-3-yl)azetidine-3-carboxamide
SMILESNC(=O)C1CN(c2ccc(Cl)nn2)C1
InChIInChI=1S/C8H9ClN4O/c9-6-1-2-7(12-11-6)13-3-5(4-13)8(10)14/h1-2,5H,3-4H2,(H2,10,14)
InChIKeyNFWHINAYOWOPAW-UHFFFAOYSA-N
XLogP0.05
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.64
LogP ≤ 50.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(6-chloropyridazin-3-yl)azetidine-3-carboxamide?
The IUPAC name of 1-(6-chloropyridazin-3-yl)azetidine-3-carboxamide (CID 131007108) is 1-(6-chloropyridazin-3-yl)azetidine-3-carboxamide.
What is the SMILES notation for 1-(6-chloropyridazin-3-yl)azetidine-3-carboxamide?
The canonical SMILES for 1-(6-chloropyridazin-3-yl)azetidine-3-carboxamide is NC(=O)C1CN(c2ccc(Cl)nn2)C1.
What is the InChIKey of 1-(6-chloropyridazin-3-yl)azetidine-3-carboxamide?
The InChIKey is NFWHINAYOWOPAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClN4O/c9-6-1-2-7(12-11-6)13-3-5(4-13)8(10)14/h1-2,5H,3-4H2,(H2,10,14).
What are the key properties of 1-(6-chloropyridazin-3-yl)azetidine-3-carboxamide?
1-(6-chloropyridazin-3-yl)azetidine-3-carboxamide has a molecular weight of 212.64 g/mol, XLogP of 0.05, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloropyridazin-3-yl)azetidine-3-carboxamide is sourced from PubChem (CID 131007108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).