1,2,3,4-tetrahydropyrido[3,4-d]pyridazine-1-carboxamide

C8H10N4O — CID 141106155

IUPAC1,2,3,4-tetrahydropyrido[3,4-d]pyridazine-1-carboxamide
SMILESNC(=O)C1NNCc2cnccc21
InChIInChI=1S/C8H10N4O/c9-8(13)7-6-1-2-10-3-5(6)4-11-12-7/h1-3,7,11-12H,4H2,(H2,9,13)
InChIKeyRSIYOEYPMBIESU-UHFFFAOYSA-N
MW178.20 g/mol
LogP-0.78
Rot. Bonds1

About 1,2,3,4-tetrahydropyrido[3,4-d]pyridazine-1-carboxamide

1,2,3,4-tetrahydropyrido[3,4-d]pyridazine-1-carboxamide (PubChem CID 141106155) has the molecular formula C8H10N4O and a molecular weight of 178.20 g/mol. Its IUPAC name is 1,2,3,4-tetrahydropyrido[3,4-d]pyridazine-1-carboxamide.

Molecular Properties

Compound Name1,2,3,4-tetrahydropyrido[3,4-d]pyridazine-1-carboxamide
PubChem CID141106155
Molecular FormulaC8H10N4O
Molecular Weight178.20 g/mol
Exact Mass178.09
IUPAC Name1,2,3,4-tetrahydropyrido[3,4-d]pyridazine-1-carboxamide
SMILESNC(=O)C1NNCc2cnccc21
InChIInChI=1S/C8H10N4O/c9-8(13)7-6-1-2-10-3-5(6)4-11-12-7/h1-3,7,11-12H,4H2,(H2,9,13)
InChIKeyRSIYOEYPMBIESU-UHFFFAOYSA-N
XLogP-0.78
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.20
LogP ≤ 5-0.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,4-tetrahydropyrido[3,4-d]pyridazine-1-carboxamide?
The IUPAC name of 1,2,3,4-tetrahydropyrido[3,4-d]pyridazine-1-carboxamide (CID 141106155) is 1,2,3,4-tetrahydropyrido[3,4-d]pyridazine-1-carboxamide.
What is the SMILES notation for 1,2,3,4-tetrahydropyrido[3,4-d]pyridazine-1-carboxamide?
The canonical SMILES for 1,2,3,4-tetrahydropyrido[3,4-d]pyridazine-1-carboxamide is NC(=O)C1NNCc2cnccc21.
What is the InChIKey of 1,2,3,4-tetrahydropyrido[3,4-d]pyridazine-1-carboxamide?
The InChIKey is RSIYOEYPMBIESU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4O/c9-8(13)7-6-1-2-10-3-5(6)4-11-12-7/h1-3,7,11-12H,4H2,(H2,9,13).
What are the key properties of 1,2,3,4-tetrahydropyrido[3,4-d]pyridazine-1-carboxamide?
1,2,3,4-tetrahydropyrido[3,4-d]pyridazine-1-carboxamide has a molecular weight of 178.20 g/mol, XLogP of -0.78, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4-tetrahydropyrido[3,4-d]pyridazine-1-carboxamide is sourced from PubChem (CID 141106155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).