6-(6-oxaspiro[4.5]decan-9-ylamino)pyridazine-3-carboxamide

C14H20N4O2 — CID 71847340

IUPAC6-(6-oxaspiro[4.5]decan-9-ylamino)pyridazine-3-carboxamide
SMILESNC(=O)c1ccc(NC2CCOC3(CCCC3)C2)nn1
InChIInChI=1S/C14H20N4O2/c15-13(19)11-3-4-12(18-17-11)16-10-5-8-20-14(9-10)6-1-2-7-14/h3-4,10H,1-2,5-9H2,(H2,15,19)(H,16,18)
InChIKeyBGHONSFKGJLHLN-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.48
Rot. Bonds3

About 6-(6-oxaspiro[4.5]decan-9-ylamino)pyridazine-3-carboxamide

6-(6-oxaspiro[4.5]decan-9-ylamino)pyridazine-3-carboxamide (PubChem CID 71847340) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is 6-(6-oxaspiro[4.5]decan-9-ylamino)pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(6-oxaspiro[4.5]decan-9-ylamino)pyridazine-3-carboxamide
PubChem CID71847340
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC Name6-(6-oxaspiro[4.5]decan-9-ylamino)pyridazine-3-carboxamide
SMILESNC(=O)c1ccc(NC2CCOC3(CCCC3)C2)nn1
InChIInChI=1S/C14H20N4O2/c15-13(19)11-3-4-12(18-17-11)16-10-5-8-20-14(9-10)6-1-2-7-14/h3-4,10H,1-2,5-9H2,(H2,15,19)(H,16,18)
InChIKeyBGHONSFKGJLHLN-UHFFFAOYSA-N
XLogP1.48
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(6-oxaspiro[4.5]decan-9-ylamino)pyridazine-3-carboxamide?
The IUPAC name of 6-(6-oxaspiro[4.5]decan-9-ylamino)pyridazine-3-carboxamide (CID 71847340) is 6-(6-oxaspiro[4.5]decan-9-ylamino)pyridazine-3-carboxamide.
What is the SMILES notation for 6-(6-oxaspiro[4.5]decan-9-ylamino)pyridazine-3-carboxamide?
The canonical SMILES for 6-(6-oxaspiro[4.5]decan-9-ylamino)pyridazine-3-carboxamide is NC(=O)c1ccc(NC2CCOC3(CCCC3)C2)nn1.
What is the InChIKey of 6-(6-oxaspiro[4.5]decan-9-ylamino)pyridazine-3-carboxamide?
The InChIKey is BGHONSFKGJLHLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2/c15-13(19)11-3-4-12(18-17-11)16-10-5-8-20-14(9-10)6-1-2-7-14/h3-4,10H,1-2,5-9H2,(H2,15,19)(H,16,18).
What are the key properties of 6-(6-oxaspiro[4.5]decan-9-ylamino)pyridazine-3-carboxamide?
6-(6-oxaspiro[4.5]decan-9-ylamino)pyridazine-3-carboxamide has a molecular weight of 276.34 g/mol, XLogP of 1.48, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-oxaspiro[4.5]decan-9-ylamino)pyridazine-3-carboxamide is sourced from PubChem (CID 71847340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).