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

C13H15N3O2 — CID 137045889

IUPAC2-[6-amino-5-(2-hydroxypropan-2-yl)pyridazin-3-yl]phenol
SMILESCC(C)(O)c1cc(-c2ccccc2O)nnc1N
InChIInChI=1S/C13H15N3O2/c1-13(2,18)9-7-10(15-16-12(9)14)8-5-3-4-6-11(8)17/h3-7,17-18H,1-2H3,(H2,14,16)
InChIKeyKOCILNCGORUOQP-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.66
Rot. Bonds2

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

2-[6-amino-5-(2-hydroxypropan-2-yl)pyridazin-3-yl]phenol (PubChem CID 137045889) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is 2-[6-amino-5-(2-hydroxypropan-2-yl)pyridazin-3-yl]phenol.

Molecular Properties

Compound Name2-[6-amino-5-(2-hydroxypropan-2-yl)pyridazin-3-yl]phenol
PubChem CID137045889
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name2-[6-amino-5-(2-hydroxypropan-2-yl)pyridazin-3-yl]phenol
SMILESCC(C)(O)c1cc(-c2ccccc2O)nnc1N
InChIInChI=1S/C13H15N3O2/c1-13(2,18)9-7-10(15-16-12(9)14)8-5-3-4-6-11(8)17/h3-7,17-18H,1-2H3,(H2,14,16)
InChIKeyKOCILNCGORUOQP-UHFFFAOYSA-N
XLogP1.66
TPSA92.26 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[6-amino-5-(2-hydroxypropan-2-yl)pyridazin-3-yl]phenol?
The IUPAC name of 2-[6-amino-5-(2-hydroxypropan-2-yl)pyridazin-3-yl]phenol (CID 137045889) is 2-[6-amino-5-(2-hydroxypropan-2-yl)pyridazin-3-yl]phenol.
What is the SMILES notation for 2-[6-amino-5-(2-hydroxypropan-2-yl)pyridazin-3-yl]phenol?
The canonical SMILES for 2-[6-amino-5-(2-hydroxypropan-2-yl)pyridazin-3-yl]phenol is CC(C)(O)c1cc(-c2ccccc2O)nnc1N.
What is the InChIKey of 2-[6-amino-5-(2-hydroxypropan-2-yl)pyridazin-3-yl]phenol?
The InChIKey is KOCILNCGORUOQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-13(2,18)9-7-10(15-16-12(9)14)8-5-3-4-6-11(8)17/h3-7,17-18H,1-2H3,(H2,14,16).
What are the key properties of 2-[6-amino-5-(2-hydroxypropan-2-yl)pyridazin-3-yl]phenol?
2-[6-amino-5-(2-hydroxypropan-2-yl)pyridazin-3-yl]phenol has a molecular weight of 245.28 g/mol, XLogP of 1.66, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-amino-5-(2-hydroxypropan-2-yl)pyridazin-3-yl]phenol is sourced from PubChem (CID 137045889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).