2-[6-amino-5-[(2R)-oxolan-2-yl]pyridazin-3-yl]phenol

C14H15N3O2 — CID 137029455

IUPAC2-[6-amino-5-[(2R)-oxolan-2-yl]pyridazin-3-yl]phenol
SMILESNc1nnc(-c2ccccc2O)cc1[C@H]1CCCO1
InChIInChI=1S/C14H15N3O2/c15-14-10(13-6-3-7-19-13)8-11(16-17-14)9-4-1-2-5-12(9)18/h1-2,4-5,8,13,18H,3,6-7H2,(H2,15,17)/t13-/m1/s1
InChIKeyZILVHLWAUYDDPX-CYBMUJFWSA-N
MW257.29 g/mol
LogP2.28
Rot. Bonds2

About 2-[6-amino-5-[(2R)-oxolan-2-yl]pyridazin-3-yl]phenol

2-[6-amino-5-[(2R)-oxolan-2-yl]pyridazin-3-yl]phenol (PubChem CID 137029455) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is 2-[6-amino-5-[(2R)-oxolan-2-yl]pyridazin-3-yl]phenol.

Molecular Properties

Compound Name2-[6-amino-5-[(2R)-oxolan-2-yl]pyridazin-3-yl]phenol
PubChem CID137029455
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC Name2-[6-amino-5-[(2R)-oxolan-2-yl]pyridazin-3-yl]phenol
SMILESNc1nnc(-c2ccccc2O)cc1[C@H]1CCCO1
InChIInChI=1S/C14H15N3O2/c15-14-10(13-6-3-7-19-13)8-11(16-17-14)9-4-1-2-5-12(9)18/h1-2,4-5,8,13,18H,3,6-7H2,(H2,15,17)/t13-/m1/s1
InChIKeyZILVHLWAUYDDPX-CYBMUJFWSA-N
XLogP2.28
TPSA81.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[6-amino-5-[(2R)-oxolan-2-yl]pyridazin-3-yl]phenol?
The IUPAC name of 2-[6-amino-5-[(2R)-oxolan-2-yl]pyridazin-3-yl]phenol (CID 137029455) is 2-[6-amino-5-[(2R)-oxolan-2-yl]pyridazin-3-yl]phenol.
What is the SMILES notation for 2-[6-amino-5-[(2R)-oxolan-2-yl]pyridazin-3-yl]phenol?
The canonical SMILES for 2-[6-amino-5-[(2R)-oxolan-2-yl]pyridazin-3-yl]phenol is Nc1nnc(-c2ccccc2O)cc1[C@H]1CCCO1.
What is the InChIKey of 2-[6-amino-5-[(2R)-oxolan-2-yl]pyridazin-3-yl]phenol?
The InChIKey is ZILVHLWAUYDDPX-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H15N3O2/c15-14-10(13-6-3-7-19-13)8-11(16-17-14)9-4-1-2-5-12(9)18/h1-2,4-5,8,13,18H,3,6-7H2,(H2,15,17)/t13-/m1/s1.
What are the key properties of 2-[6-amino-5-[(2R)-oxolan-2-yl]pyridazin-3-yl]phenol?
2-[6-amino-5-[(2R)-oxolan-2-yl]pyridazin-3-yl]phenol has a molecular weight of 257.29 g/mol, XLogP of 2.28, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-amino-5-[(2R)-oxolan-2-yl]pyridazin-3-yl]phenol is sourced from PubChem (CID 137029455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).