4-(3-hydroxyprop-1-ynyl)-1,2-dihydropyridazine-3,6-dione

C7H6N2O3 — CID 169484776

IUPAC4-(3-hydroxyprop-1-ynyl)-1,2-dihydropyridazine-3,6-dione
SMILESO=c1cc(C#CCO)c(=O)[nH][nH]1
InChIInChI=1S/C7H6N2O3/c10-3-1-2-5-4-6(11)8-9-7(5)12/h4,10H,3H2,(H,8,11)(H,9,12)
InChIKeyFXQOHDNKGKEDDU-UHFFFAOYSA-N
MW166.14 g/mol
LogP-1.59
Rot. Bonds

About 4-(3-hydroxyprop-1-ynyl)-1,2-dihydropyridazine-3,6-dione

4-(3-hydroxyprop-1-ynyl)-1,2-dihydropyridazine-3,6-dione (PubChem CID 169484776) has the molecular formula C7H6N2O3 and a molecular weight of 166.14 g/mol. Its IUPAC name is 4-(3-hydroxyprop-1-ynyl)-1,2-dihydropyridazine-3,6-dione.

Molecular Properties

Compound Name4-(3-hydroxyprop-1-ynyl)-1,2-dihydropyridazine-3,6-dione
PubChem CID169484776
Molecular FormulaC7H6N2O3
Molecular Weight166.14 g/mol
Exact Mass166.04
IUPAC Name4-(3-hydroxyprop-1-ynyl)-1,2-dihydropyridazine-3,6-dione
SMILESO=c1cc(C#CCO)c(=O)[nH][nH]1
InChIInChI=1S/C7H6N2O3/c10-3-1-2-5-4-6(11)8-9-7(5)12/h4,10H,3H2,(H,8,11)(H,9,12)
InChIKeyFXQOHDNKGKEDDU-UHFFFAOYSA-N
XLogP-1.59
TPSA85.95 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.14
LogP ≤ 5-1.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(3-hydroxyprop-1-ynyl)-1,2-dihydropyridazine-3,6-dione?
The IUPAC name of 4-(3-hydroxyprop-1-ynyl)-1,2-dihydropyridazine-3,6-dione (CID 169484776) is 4-(3-hydroxyprop-1-ynyl)-1,2-dihydropyridazine-3,6-dione.
What is the SMILES notation for 4-(3-hydroxyprop-1-ynyl)-1,2-dihydropyridazine-3,6-dione?
The canonical SMILES for 4-(3-hydroxyprop-1-ynyl)-1,2-dihydropyridazine-3,6-dione is O=c1cc(C#CCO)c(=O)[nH][nH]1.
What is the InChIKey of 4-(3-hydroxyprop-1-ynyl)-1,2-dihydropyridazine-3,6-dione?
The InChIKey is FXQOHDNKGKEDDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2O3/c10-3-1-2-5-4-6(11)8-9-7(5)12/h4,10H,3H2,(H,8,11)(H,9,12).
What are the key properties of 4-(3-hydroxyprop-1-ynyl)-1,2-dihydropyridazine-3,6-dione?
4-(3-hydroxyprop-1-ynyl)-1,2-dihydropyridazine-3,6-dione has a molecular weight of 166.14 g/mol, XLogP of -1.59, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-hydroxyprop-1-ynyl)-1,2-dihydropyridazine-3,6-dione is sourced from PubChem (CID 169484776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).