1-pyridazin-3-ylazetidine-3-carboxamide

C8H10N4O — CID 90012151

IUPAC1-pyridazin-3-ylazetidine-3-carboxamide
SMILESNC(=O)C1CN(c2cccnn2)C1
InChIInChI=1S/C8H10N4O/c9-8(13)6-4-12(5-6)7-2-1-3-10-11-7/h1-3,6H,4-5H2,(H2,9,13)
InChIKeyFAUPQJYLPQGFTH-UHFFFAOYSA-N
MW178.19 g/mol
LogP-0.60
Rot. Bonds2

About 1-pyridazin-3-ylazetidine-3-carboxamide

1-pyridazin-3-ylazetidine-3-carboxamide (PubChem CID 90012151) has the molecular formula C8H10N4O and a molecular weight of 178.19 g/mol. Its IUPAC name is 1-pyridazin-3-ylazetidine-3-carboxamide.

Molecular Properties

Compound Name1-pyridazin-3-ylazetidine-3-carboxamide
PubChem CID90012151
Molecular FormulaC8H10N4O
Molecular Weight178.19 g/mol
Exact Mass178.09
IUPAC Name1-pyridazin-3-ylazetidine-3-carboxamide
SMILESNC(=O)C1CN(c2cccnn2)C1
InChIInChI=1S/C8H10N4O/c9-8(13)6-4-12(5-6)7-2-1-3-10-11-7/h1-3,6H,4-5H2,(H2,9,13)
InChIKeyFAUPQJYLPQGFTH-UHFFFAOYSA-N
XLogP-0.60
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 5-0.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-pyridazin-3-ylazetidine-3-carboxamide?
The IUPAC name of 1-pyridazin-3-ylazetidine-3-carboxamide (CID 90012151) is 1-pyridazin-3-ylazetidine-3-carboxamide.
What is the SMILES notation for 1-pyridazin-3-ylazetidine-3-carboxamide?
The canonical SMILES for 1-pyridazin-3-ylazetidine-3-carboxamide is NC(=O)C1CN(c2cccnn2)C1.
What is the InChIKey of 1-pyridazin-3-ylazetidine-3-carboxamide?
The InChIKey is FAUPQJYLPQGFTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4O/c9-8(13)6-4-12(5-6)7-2-1-3-10-11-7/h1-3,6H,4-5H2,(H2,9,13).
What are the key properties of 1-pyridazin-3-ylazetidine-3-carboxamide?
1-pyridazin-3-ylazetidine-3-carboxamide has a molecular weight of 178.19 g/mol, XLogP of -0.60, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyridazin-3-ylazetidine-3-carboxamide is sourced from PubChem (CID 90012151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).