N-(1,2-oxazol-5-ylmethyl)-6-oxo-1H-pyridazine-3-carboxamide

C9H8N4O3 — CID 103939727

IUPACN-(1,2-oxazol-5-ylmethyl)-6-oxo-1H-pyridazine-3-carboxamide
SMILESO=C(NCc1ccno1)c1ccc(=O)[nH]n1
InChIInChI=1S/C9H8N4O3/c14-8-2-1-7(12-13-8)9(15)10-5-6-3-4-11-16-6/h1-4H,5H2,(H,10,15)(H,13,14)
InChIKeyKPNWZWSNONEHDJ-UHFFFAOYSA-N
MW220.19 g/mol
LogP-0.31
Rot. Bonds3

About N-(1,2-oxazol-5-ylmethyl)-6-oxo-1H-pyridazine-3-carboxamide

N-(1,2-oxazol-5-ylmethyl)-6-oxo-1H-pyridazine-3-carboxamide (PubChem CID 103939727) has the molecular formula C9H8N4O3 and a molecular weight of 220.19 g/mol. Its IUPAC name is N-(1,2-oxazol-5-ylmethyl)-6-oxo-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(1,2-oxazol-5-ylmethyl)-6-oxo-1H-pyridazine-3-carboxamide
PubChem CID103939727
Molecular FormulaC9H8N4O3
Molecular Weight220.19 g/mol
Exact Mass220.06
IUPAC NameN-(1,2-oxazol-5-ylmethyl)-6-oxo-1H-pyridazine-3-carboxamide
SMILESO=C(NCc1ccno1)c1ccc(=O)[nH]n1
InChIInChI=1S/C9H8N4O3/c14-8-2-1-7(12-13-8)9(15)10-5-6-3-4-11-16-6/h1-4H,5H2,(H,10,15)(H,13,14)
InChIKeyKPNWZWSNONEHDJ-UHFFFAOYSA-N
XLogP-0.31
TPSA100.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.19
LogP ≤ 5-0.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1,2-oxazol-5-ylmethyl)-6-oxo-1H-pyridazine-3-carboxamide?
The IUPAC name of N-(1,2-oxazol-5-ylmethyl)-6-oxo-1H-pyridazine-3-carboxamide (CID 103939727) is N-(1,2-oxazol-5-ylmethyl)-6-oxo-1H-pyridazine-3-carboxamide.
What is the SMILES notation for N-(1,2-oxazol-5-ylmethyl)-6-oxo-1H-pyridazine-3-carboxamide?
The canonical SMILES for N-(1,2-oxazol-5-ylmethyl)-6-oxo-1H-pyridazine-3-carboxamide is O=C(NCc1ccno1)c1ccc(=O)[nH]n1.
What is the InChIKey of N-(1,2-oxazol-5-ylmethyl)-6-oxo-1H-pyridazine-3-carboxamide?
The InChIKey is KPNWZWSNONEHDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N4O3/c14-8-2-1-7(12-13-8)9(15)10-5-6-3-4-11-16-6/h1-4H,5H2,(H,10,15)(H,13,14).
What are the key properties of N-(1,2-oxazol-5-ylmethyl)-6-oxo-1H-pyridazine-3-carboxamide?
N-(1,2-oxazol-5-ylmethyl)-6-oxo-1H-pyridazine-3-carboxamide has a molecular weight of 220.19 g/mol, XLogP of -0.31, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2-oxazol-5-ylmethyl)-6-oxo-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 103939727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).