2-[6-amino-5-[(1R,2R)-2-phenylcyclopropyl]pyridazin-3-yl]phenol

C19H17N3O — CID 137045918

IUPAC2-[6-amino-5-[(1R,2R)-2-phenylcyclopropyl]pyridazin-3-yl]phenol
SMILESNc1nnc(-c2ccccc2O)cc1[C@@H]1C[C@H]1c1ccccc1
InChIInChI=1S/C19H17N3O/c20-19-16(15-10-14(15)12-6-2-1-3-7-12)11-17(21-22-19)13-8-4-5-9-18(13)23/h1-9,11,14-15,23H,10H2,(H2,20,22)/t14-,15+/m0/s1
InChIKeySHLMDDDFBPBDMH-LSDHHAIUSA-N
MW303.37 g/mol
LogP3.70
Rot. Bonds3

About 2-[6-amino-5-[(1R,2R)-2-phenylcyclopropyl]pyridazin-3-yl]phenol

2-[6-amino-5-[(1R,2R)-2-phenylcyclopropyl]pyridazin-3-yl]phenol (PubChem CID 137045918) has the molecular formula C19H17N3O and a molecular weight of 303.37 g/mol. Its IUPAC name is 2-[6-amino-5-[(1R,2R)-2-phenylcyclopropyl]pyridazin-3-yl]phenol.

Molecular Properties

Compound Name2-[6-amino-5-[(1R,2R)-2-phenylcyclopropyl]pyridazin-3-yl]phenol
PubChem CID137045918
Molecular FormulaC19H17N3O
Molecular Weight303.37 g/mol
Exact Mass303.14
IUPAC Name2-[6-amino-5-[(1R,2R)-2-phenylcyclopropyl]pyridazin-3-yl]phenol
SMILESNc1nnc(-c2ccccc2O)cc1[C@@H]1C[C@H]1c1ccccc1
InChIInChI=1S/C19H17N3O/c20-19-16(15-10-14(15)12-6-2-1-3-7-12)11-17(21-22-19)13-8-4-5-9-18(13)23/h1-9,11,14-15,23H,10H2,(H2,20,22)/t14-,15+/m0/s1
InChIKeySHLMDDDFBPBDMH-LSDHHAIUSA-N
XLogP3.70
TPSA72.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[6-amino-5-[(1R,2R)-2-phenylcyclopropyl]pyridazin-3-yl]phenol?
The IUPAC name of 2-[6-amino-5-[(1R,2R)-2-phenylcyclopropyl]pyridazin-3-yl]phenol (CID 137045918) is 2-[6-amino-5-[(1R,2R)-2-phenylcyclopropyl]pyridazin-3-yl]phenol.
What is the SMILES notation for 2-[6-amino-5-[(1R,2R)-2-phenylcyclopropyl]pyridazin-3-yl]phenol?
The canonical SMILES for 2-[6-amino-5-[(1R,2R)-2-phenylcyclopropyl]pyridazin-3-yl]phenol is Nc1nnc(-c2ccccc2O)cc1[C@@H]1C[C@H]1c1ccccc1.
What is the InChIKey of 2-[6-amino-5-[(1R,2R)-2-phenylcyclopropyl]pyridazin-3-yl]phenol?
The InChIKey is SHLMDDDFBPBDMH-LSDHHAIUSA-N. The full InChI is InChI=1S/C19H17N3O/c20-19-16(15-10-14(15)12-6-2-1-3-7-12)11-17(21-22-19)13-8-4-5-9-18(13)23/h1-9,11,14-15,23H,10H2,(H2,20,22)/t14-,15+/m0/s1.
What are the key properties of 2-[6-amino-5-[(1R,2R)-2-phenylcyclopropyl]pyridazin-3-yl]phenol?
2-[6-amino-5-[(1R,2R)-2-phenylcyclopropyl]pyridazin-3-yl]phenol has a molecular weight of 303.37 g/mol, XLogP of 3.70, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-amino-5-[(1R,2R)-2-phenylcyclopropyl]pyridazin-3-yl]phenol is sourced from PubChem (CID 137045918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).