9-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]-1-oxa-9-azaspiro[5.5]undecan-4-amine

C17H24N6O — CID 167982921

IUPAC9-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]-1-oxa-9-azaspiro[5.5]undecan-4-amine
SMILESCc1ccn(-c2ccc(N3CCC4(CC3)CC(N)CCO4)nn2)n1
InChIInChI=1S/C17H24N6O/c1-13-4-8-23(21-13)16-3-2-15(19-20-16)22-9-6-17(7-10-22)12-14(18)5-11-24-17/h2-4,8,14H,5-7,9-12,18H2,1H3
InChIKeyKRFFEIJTOZFAHK-UHFFFAOYSA-N
MW328.42 g/mol
LogP1.45
Rot. Bonds2

About 9-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]-1-oxa-9-azaspiro[5.5]undecan-4-amine

9-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]-1-oxa-9-azaspiro[5.5]undecan-4-amine (PubChem CID 167982921) has the molecular formula C17H24N6O and a molecular weight of 328.42 g/mol. Its IUPAC name is 9-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]-1-oxa-9-azaspiro[5.5]undecan-4-amine.

Molecular Properties

Compound Name9-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]-1-oxa-9-azaspiro[5.5]undecan-4-amine
PubChem CID167982921
Molecular FormulaC17H24N6O
Molecular Weight328.42 g/mol
Exact Mass328.20
IUPAC Name9-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]-1-oxa-9-azaspiro[5.5]undecan-4-amine
SMILESCc1ccn(-c2ccc(N3CCC4(CC3)CC(N)CCO4)nn2)n1
InChIInChI=1S/C17H24N6O/c1-13-4-8-23(21-13)16-3-2-15(19-20-16)22-9-6-17(7-10-22)12-14(18)5-11-24-17/h2-4,8,14H,5-7,9-12,18H2,1H3
InChIKeyKRFFEIJTOZFAHK-UHFFFAOYSA-N
XLogP1.45
TPSA82.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 9-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]-1-oxa-9-azaspiro[5.5]undecan-4-amine?
The IUPAC name of 9-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]-1-oxa-9-azaspiro[5.5]undecan-4-amine (CID 167982921) is 9-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]-1-oxa-9-azaspiro[5.5]undecan-4-amine.
What is the SMILES notation for 9-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]-1-oxa-9-azaspiro[5.5]undecan-4-amine?
The canonical SMILES for 9-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]-1-oxa-9-azaspiro[5.5]undecan-4-amine is Cc1ccn(-c2ccc(N3CCC4(CC3)CC(N)CCO4)nn2)n1.
What is the InChIKey of 9-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]-1-oxa-9-azaspiro[5.5]undecan-4-amine?
The InChIKey is KRFFEIJTOZFAHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6O/c1-13-4-8-23(21-13)16-3-2-15(19-20-16)22-9-6-17(7-10-22)12-14(18)5-11-24-17/h2-4,8,14H,5-7,9-12,18H2,1H3.
What are the key properties of 9-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]-1-oxa-9-azaspiro[5.5]undecan-4-amine?
9-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]-1-oxa-9-azaspiro[5.5]undecan-4-amine has a molecular weight of 328.42 g/mol, XLogP of 1.45, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]-1-oxa-9-azaspiro[5.5]undecan-4-amine is sourced from PubChem (CID 167982921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).