2-[(6-chloropyridazin-3-yl)amino]-1-(1-oxa-4-azaspiro[5.5]undecan-4-yl)ethanone

C15H21ClN4O2 — CID 122134876

IUPAC2-[(6-chloropyridazin-3-yl)amino]-1-(1-oxa-4-azaspiro[5.5]undecan-4-yl)ethanone
SMILESO=C(CNc1ccc(Cl)nn1)N1CCOC2(CCCCC2)C1
InChIInChI=1S/C15H21ClN4O2/c16-12-4-5-13(19-18-12)17-10-14(21)20-8-9-22-15(11-20)6-2-1-3-7-15/h4-5H,1-3,6-11H2,(H,17,19)
InChIKeyRGCXVUUOTVNKAE-UHFFFAOYSA-N
MW324.81 g/mol
LogP2.10
Rot. Bonds3

About 2-[(6-chloropyridazin-3-yl)amino]-1-(1-oxa-4-azaspiro[5.5]undecan-4-yl)ethanone

2-[(6-chloropyridazin-3-yl)amino]-1-(1-oxa-4-azaspiro[5.5]undecan-4-yl)ethanone (PubChem CID 122134876) has the molecular formula C15H21ClN4O2 and a molecular weight of 324.81 g/mol. Its IUPAC name is 2-[(6-chloropyridazin-3-yl)amino]-1-(1-oxa-4-azaspiro[5.5]undecan-4-yl)ethanone.

Molecular Properties

Compound Name2-[(6-chloropyridazin-3-yl)amino]-1-(1-oxa-4-azaspiro[5.5]undecan-4-yl)ethanone
PubChem CID122134876
Molecular FormulaC15H21ClN4O2
Molecular Weight324.81 g/mol
Exact Mass324.14
IUPAC Name2-[(6-chloropyridazin-3-yl)amino]-1-(1-oxa-4-azaspiro[5.5]undecan-4-yl)ethanone
SMILESO=C(CNc1ccc(Cl)nn1)N1CCOC2(CCCCC2)C1
InChIInChI=1S/C15H21ClN4O2/c16-12-4-5-13(19-18-12)17-10-14(21)20-8-9-22-15(11-20)6-2-1-3-7-15/h4-5H,1-3,6-11H2,(H,17,19)
InChIKeyRGCXVUUOTVNKAE-UHFFFAOYSA-N
XLogP2.10
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.81
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-chloropyridazin-3-yl)amino]-1-(1-oxa-4-azaspiro[5.5]undecan-4-yl)ethanone?
The IUPAC name of 2-[(6-chloropyridazin-3-yl)amino]-1-(1-oxa-4-azaspiro[5.5]undecan-4-yl)ethanone (CID 122134876) is 2-[(6-chloropyridazin-3-yl)amino]-1-(1-oxa-4-azaspiro[5.5]undecan-4-yl)ethanone.
What is the SMILES notation for 2-[(6-chloropyridazin-3-yl)amino]-1-(1-oxa-4-azaspiro[5.5]undecan-4-yl)ethanone?
The canonical SMILES for 2-[(6-chloropyridazin-3-yl)amino]-1-(1-oxa-4-azaspiro[5.5]undecan-4-yl)ethanone is O=C(CNc1ccc(Cl)nn1)N1CCOC2(CCCCC2)C1.
What is the InChIKey of 2-[(6-chloropyridazin-3-yl)amino]-1-(1-oxa-4-azaspiro[5.5]undecan-4-yl)ethanone?
The InChIKey is RGCXVUUOTVNKAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN4O2/c16-12-4-5-13(19-18-12)17-10-14(21)20-8-9-22-15(11-20)6-2-1-3-7-15/h4-5H,1-3,6-11H2,(H,17,19).
What are the key properties of 2-[(6-chloropyridazin-3-yl)amino]-1-(1-oxa-4-azaspiro[5.5]undecan-4-yl)ethanone?
2-[(6-chloropyridazin-3-yl)amino]-1-(1-oxa-4-azaspiro[5.5]undecan-4-yl)ethanone has a molecular weight of 324.81 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-chloropyridazin-3-yl)amino]-1-(1-oxa-4-azaspiro[5.5]undecan-4-yl)ethanone is sourced from PubChem (CID 122134876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).