3-aminopyridazine-4-carboxamide

C5H6N4O — CID 15154712

IUPAC3-aminopyridazine-4-carboxamide
SMILESNC(=O)c1ccnnc1N
InChIInChI=1S/C5H6N4O/c6-4-3(5(7)10)1-2-8-9-4/h1-2H,(H2,6,9)(H2,7,10)
InChIKeyQKQLAVNPUQLBQX-UHFFFAOYSA-N
MW138.13 g/mol
LogP-0.84
Rot. Bonds1

About 3-aminopyridazine-4-carboxamide

3-aminopyridazine-4-carboxamide (PubChem CID 15154712) has the molecular formula C5H6N4O and a molecular weight of 138.13 g/mol. Its IUPAC name is 3-aminopyridazine-4-carboxamide.

Molecular Properties

Compound Name3-aminopyridazine-4-carboxamide
PubChem CID15154712
Molecular FormulaC5H6N4O
Molecular Weight138.13 g/mol
Exact Mass138.05
IUPAC Name3-aminopyridazine-4-carboxamide
SMILESNC(=O)c1ccnnc1N
InChIInChI=1S/C5H6N4O/c6-4-3(5(7)10)1-2-8-9-4/h1-2H,(H2,6,9)(H2,7,10)
InChIKeyQKQLAVNPUQLBQX-UHFFFAOYSA-N
XLogP-0.84
TPSA94.89 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.13
LogP ≤ 5-0.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-aminopyridazine-4-carboxamide?
The IUPAC name of 3-aminopyridazine-4-carboxamide (CID 15154712) is 3-aminopyridazine-4-carboxamide.
What is the SMILES notation for 3-aminopyridazine-4-carboxamide?
The canonical SMILES for 3-aminopyridazine-4-carboxamide is NC(=O)c1ccnnc1N.
What is the InChIKey of 3-aminopyridazine-4-carboxamide?
The InChIKey is QKQLAVNPUQLBQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N4O/c6-4-3(5(7)10)1-2-8-9-4/h1-2H,(H2,6,9)(H2,7,10).
What are the key properties of 3-aminopyridazine-4-carboxamide?
3-aminopyridazine-4-carboxamide has a molecular weight of 138.13 g/mol, XLogP of -0.84, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-aminopyridazine-4-carboxamide is sourced from PubChem (CID 15154712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).