6-oxo-N-[1-(oxolan-3-yl)pyrazol-4-yl]-1H-pyridazine-3-carboxamide

C12H13N5O3 — CID 72719593

IUPAC6-oxo-N-[1-(oxolan-3-yl)pyrazol-4-yl]-1H-pyridazine-3-carboxamide
SMILESO=C(Nc1cnn(C2CCOC2)c1)c1ccc(=O)[nH]n1
InChIInChI=1S/C12H13N5O3/c18-11-2-1-10(15-16-11)12(19)14-8-5-13-17(6-8)9-3-4-20-7-9/h1-2,5-6,9H,3-4,7H2,(H,14,19)(H,16,18)
InChIKeyNQJVLBXXVYLLLT-UHFFFAOYSA-N
MW275.27 g/mol
LogP0.18
Rot. Bonds3

About 6-oxo-N-[1-(oxolan-3-yl)pyrazol-4-yl]-1H-pyridazine-3-carboxamide

6-oxo-N-[1-(oxolan-3-yl)pyrazol-4-yl]-1H-pyridazine-3-carboxamide (PubChem CID 72719593) has the molecular formula C12H13N5O3 and a molecular weight of 275.27 g/mol. Its IUPAC name is 6-oxo-N-[1-(oxolan-3-yl)pyrazol-4-yl]-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-oxo-N-[1-(oxolan-3-yl)pyrazol-4-yl]-1H-pyridazine-3-carboxamide
PubChem CID72719593
Molecular FormulaC12H13N5O3
Molecular Weight275.27 g/mol
Exact Mass275.10
IUPAC Name6-oxo-N-[1-(oxolan-3-yl)pyrazol-4-yl]-1H-pyridazine-3-carboxamide
SMILESO=C(Nc1cnn(C2CCOC2)c1)c1ccc(=O)[nH]n1
InChIInChI=1S/C12H13N5O3/c18-11-2-1-10(15-16-11)12(19)14-8-5-13-17(6-8)9-3-4-20-7-9/h1-2,5-6,9H,3-4,7H2,(H,14,19)(H,16,18)
InChIKeyNQJVLBXXVYLLLT-UHFFFAOYSA-N
XLogP0.18
TPSA101.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.27
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-oxo-N-[1-(oxolan-3-yl)pyrazol-4-yl]-1H-pyridazine-3-carboxamide?
The IUPAC name of 6-oxo-N-[1-(oxolan-3-yl)pyrazol-4-yl]-1H-pyridazine-3-carboxamide (CID 72719593) is 6-oxo-N-[1-(oxolan-3-yl)pyrazol-4-yl]-1H-pyridazine-3-carboxamide.
What is the SMILES notation for 6-oxo-N-[1-(oxolan-3-yl)pyrazol-4-yl]-1H-pyridazine-3-carboxamide?
The canonical SMILES for 6-oxo-N-[1-(oxolan-3-yl)pyrazol-4-yl]-1H-pyridazine-3-carboxamide is O=C(Nc1cnn(C2CCOC2)c1)c1ccc(=O)[nH]n1.
What is the InChIKey of 6-oxo-N-[1-(oxolan-3-yl)pyrazol-4-yl]-1H-pyridazine-3-carboxamide?
The InChIKey is NQJVLBXXVYLLLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5O3/c18-11-2-1-10(15-16-11)12(19)14-8-5-13-17(6-8)9-3-4-20-7-9/h1-2,5-6,9H,3-4,7H2,(H,14,19)(H,16,18).
What are the key properties of 6-oxo-N-[1-(oxolan-3-yl)pyrazol-4-yl]-1H-pyridazine-3-carboxamide?
6-oxo-N-[1-(oxolan-3-yl)pyrazol-4-yl]-1H-pyridazine-3-carboxamide has a molecular weight of 275.27 g/mol, XLogP of 0.18, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-N-[1-(oxolan-3-yl)pyrazol-4-yl]-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 72719593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).