3-[(6-oxo-1H-pyridazin-4-yl)amino]propanamide

C7H10N4O2 — CID 114391962

IUPAC3-[(6-oxo-1H-pyridazin-4-yl)amino]propanamide
SMILESNC(=O)CCNc1cn[nH]c(=O)c1
InChIInChI=1S/C7H10N4O2/c8-6(12)1-2-9-5-3-7(13)11-10-4-5/h3-4H,1-2H2,(H2,8,12)(H2,9,11,13)
InChIKeyHNIPKRINQIWCRD-UHFFFAOYSA-N
MW182.18 g/mol
LogP-0.94
Rot. Bonds4

About 3-[(6-oxo-1H-pyridazin-4-yl)amino]propanamide

3-[(6-oxo-1H-pyridazin-4-yl)amino]propanamide (PubChem CID 114391962) has the molecular formula C7H10N4O2 and a molecular weight of 182.18 g/mol. Its IUPAC name is 3-[(6-oxo-1H-pyridazin-4-yl)amino]propanamide.

Molecular Properties

Compound Name3-[(6-oxo-1H-pyridazin-4-yl)amino]propanamide
PubChem CID114391962
Molecular FormulaC7H10N4O2
Molecular Weight182.18 g/mol
Exact Mass182.08
IUPAC Name3-[(6-oxo-1H-pyridazin-4-yl)amino]propanamide
SMILESNC(=O)CCNc1cn[nH]c(=O)c1
InChIInChI=1S/C7H10N4O2/c8-6(12)1-2-9-5-3-7(13)11-10-4-5/h3-4H,1-2H2,(H2,8,12)(H2,9,11,13)
InChIKeyHNIPKRINQIWCRD-UHFFFAOYSA-N
XLogP-0.94
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.18
LogP ≤ 5-0.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(6-oxo-1H-pyridazin-4-yl)amino]propanamide?
The IUPAC name of 3-[(6-oxo-1H-pyridazin-4-yl)amino]propanamide (CID 114391962) is 3-[(6-oxo-1H-pyridazin-4-yl)amino]propanamide.
What is the SMILES notation for 3-[(6-oxo-1H-pyridazin-4-yl)amino]propanamide?
The canonical SMILES for 3-[(6-oxo-1H-pyridazin-4-yl)amino]propanamide is NC(=O)CCNc1cn[nH]c(=O)c1.
What is the InChIKey of 3-[(6-oxo-1H-pyridazin-4-yl)amino]propanamide?
The InChIKey is HNIPKRINQIWCRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4O2/c8-6(12)1-2-9-5-3-7(13)11-10-4-5/h3-4H,1-2H2,(H2,8,12)(H2,9,11,13).
What are the key properties of 3-[(6-oxo-1H-pyridazin-4-yl)amino]propanamide?
3-[(6-oxo-1H-pyridazin-4-yl)amino]propanamide has a molecular weight of 182.18 g/mol, XLogP of -0.94, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-oxo-1H-pyridazin-4-yl)amino]propanamide is sourced from PubChem (CID 114391962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).