2-[6-amino-5-(1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)pyridazin-3-yl]phenol

C18H23N5O2 — CID 139546200

IUPAC2-[6-amino-5-(1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)pyridazin-3-yl]phenol
SMILESNc1nnc(-c2ccccc2O)cc1N1CCC2(CC1)CNCCO2
InChIInChI=1S/C18H23N5O2/c19-17-15(11-14(21-22-17)13-3-1-2-4-16(13)24)23-8-5-18(6-9-23)12-20-7-10-25-18/h1-4,11,20,24H,5-10,12H2,(H2,19,22)
InChIKeyRHJYQYGDBYZFBN-UHFFFAOYSA-N
MW341.42 g/mol
LogP1.39
Rot. Bonds2

About 2-[6-amino-5-(1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)pyridazin-3-yl]phenol

2-[6-amino-5-(1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)pyridazin-3-yl]phenol (PubChem CID 139546200) has the molecular formula C18H23N5O2 and a molecular weight of 341.42 g/mol. Its IUPAC name is 2-[6-amino-5-(1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)pyridazin-3-yl]phenol.

Molecular Properties

Compound Name2-[6-amino-5-(1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)pyridazin-3-yl]phenol
PubChem CID139546200
Molecular FormulaC18H23N5O2
Molecular Weight341.42 g/mol
Exact Mass341.19
IUPAC Name2-[6-amino-5-(1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)pyridazin-3-yl]phenol
SMILESNc1nnc(-c2ccccc2O)cc1N1CCC2(CC1)CNCCO2
InChIInChI=1S/C18H23N5O2/c19-17-15(11-14(21-22-17)13-3-1-2-4-16(13)24)23-8-5-18(6-9-23)12-20-7-10-25-18/h1-4,11,20,24H,5-10,12H2,(H2,19,22)
InChIKeyRHJYQYGDBYZFBN-UHFFFAOYSA-N
XLogP1.39
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 51.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[6-amino-5-(1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)pyridazin-3-yl]phenol?
The IUPAC name of 2-[6-amino-5-(1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)pyridazin-3-yl]phenol (CID 139546200) is 2-[6-amino-5-(1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)pyridazin-3-yl]phenol.
What is the SMILES notation for 2-[6-amino-5-(1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)pyridazin-3-yl]phenol?
The canonical SMILES for 2-[6-amino-5-(1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)pyridazin-3-yl]phenol is Nc1nnc(-c2ccccc2O)cc1N1CCC2(CC1)CNCCO2.
What is the InChIKey of 2-[6-amino-5-(1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)pyridazin-3-yl]phenol?
The InChIKey is RHJYQYGDBYZFBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O2/c19-17-15(11-14(21-22-17)13-3-1-2-4-16(13)24)23-8-5-18(6-9-23)12-20-7-10-25-18/h1-4,11,20,24H,5-10,12H2,(H2,19,22).
What are the key properties of 2-[6-amino-5-(1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)pyridazin-3-yl]phenol?
2-[6-amino-5-(1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)pyridazin-3-yl]phenol has a molecular weight of 341.42 g/mol, XLogP of 1.39, 2 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-amino-5-(1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)pyridazin-3-yl]phenol is sourced from PubChem (CID 139546200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).