6-(aminomethyl)-2-(1,2-oxazol-5-ylmethyl)-4,5-dihydropyridazin-3-one

C9H12N4O2 — CID 82507529

IUPAC6-(aminomethyl)-2-(1,2-oxazol-5-ylmethyl)-4,5-dihydropyridazin-3-one
SMILESNCC1=NN(Cc2ccno2)C(=O)CC1
InChIInChI=1S/C9H12N4O2/c10-5-7-1-2-9(14)13(12-7)6-8-3-4-11-15-8/h3-4H,1-2,5-6,10H2
InChIKeyZNEAKFRGTWGGTI-UHFFFAOYSA-N
MW208.22 g/mol
LogP0.11
Rot. Bonds3

About 6-(aminomethyl)-2-(1,2-oxazol-5-ylmethyl)-4,5-dihydropyridazin-3-one

6-(aminomethyl)-2-(1,2-oxazol-5-ylmethyl)-4,5-dihydropyridazin-3-one (PubChem CID 82507529) has the molecular formula C9H12N4O2 and a molecular weight of 208.22 g/mol. Its IUPAC name is 6-(aminomethyl)-2-(1,2-oxazol-5-ylmethyl)-4,5-dihydropyridazin-3-one.

Molecular Properties

Compound Name6-(aminomethyl)-2-(1,2-oxazol-5-ylmethyl)-4,5-dihydropyridazin-3-one
PubChem CID82507529
Molecular FormulaC9H12N4O2
Molecular Weight208.22 g/mol
Exact Mass208.10
IUPAC Name6-(aminomethyl)-2-(1,2-oxazol-5-ylmethyl)-4,5-dihydropyridazin-3-one
SMILESNCC1=NN(Cc2ccno2)C(=O)CC1
InChIInChI=1S/C9H12N4O2/c10-5-7-1-2-9(14)13(12-7)6-8-3-4-11-15-8/h3-4H,1-2,5-6,10H2
InChIKeyZNEAKFRGTWGGTI-UHFFFAOYSA-N
XLogP0.11
TPSA84.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(aminomethyl)-2-(1,2-oxazol-5-ylmethyl)-4,5-dihydropyridazin-3-one?
The IUPAC name of 6-(aminomethyl)-2-(1,2-oxazol-5-ylmethyl)-4,5-dihydropyridazin-3-one (CID 82507529) is 6-(aminomethyl)-2-(1,2-oxazol-5-ylmethyl)-4,5-dihydropyridazin-3-one.
What is the SMILES notation for 6-(aminomethyl)-2-(1,2-oxazol-5-ylmethyl)-4,5-dihydropyridazin-3-one?
The canonical SMILES for 6-(aminomethyl)-2-(1,2-oxazol-5-ylmethyl)-4,5-dihydropyridazin-3-one is NCC1=NN(Cc2ccno2)C(=O)CC1.
What is the InChIKey of 6-(aminomethyl)-2-(1,2-oxazol-5-ylmethyl)-4,5-dihydropyridazin-3-one?
The InChIKey is ZNEAKFRGTWGGTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O2/c10-5-7-1-2-9(14)13(12-7)6-8-3-4-11-15-8/h3-4H,1-2,5-6,10H2.
What are the key properties of 6-(aminomethyl)-2-(1,2-oxazol-5-ylmethyl)-4,5-dihydropyridazin-3-one?
6-(aminomethyl)-2-(1,2-oxazol-5-ylmethyl)-4,5-dihydropyridazin-3-one has a molecular weight of 208.22 g/mol, XLogP of 0.11, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(aminomethyl)-2-(1,2-oxazol-5-ylmethyl)-4,5-dihydropyridazin-3-one is sourced from PubChem (CID 82507529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).