(1R,2R)-1-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-3-phenylpropane-1,2-diol

C19H19N3O3 — CID 137029442

IUPAC(1R,2R)-1-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-3-phenylpropane-1,2-diol
SMILESNc1nnc(-c2ccccc2O)cc1[C@@H](O)[C@H](O)Cc1ccccc1
InChIInChI=1S/C19H19N3O3/c20-19-14(18(25)17(24)10-12-6-2-1-3-7-12)11-15(21-22-19)13-8-4-5-9-16(13)23/h1-9,11,17-18,23-25H,10H2,(H2,20,22)/t17-,18-/m1/s1
InChIKeyQBCMDHXGPUYPKI-QZTJIDSGSA-N
MW337.38 g/mol
LogP2.07
Rot. Bonds5

About (1R,2R)-1-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-3-phenylpropane-1,2-diol

(1R,2R)-1-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-3-phenylpropane-1,2-diol (PubChem CID 137029442) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is (1R,2R)-1-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-3-phenylpropane-1,2-diol.

Molecular Properties

Compound Name(1R,2R)-1-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-3-phenylpropane-1,2-diol
PubChem CID137029442
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC Name(1R,2R)-1-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-3-phenylpropane-1,2-diol
SMILESNc1nnc(-c2ccccc2O)cc1[C@@H](O)[C@H](O)Cc1ccccc1
InChIInChI=1S/C19H19N3O3/c20-19-14(18(25)17(24)10-12-6-2-1-3-7-12)11-15(21-22-19)13-8-4-5-9-16(13)23/h1-9,11,17-18,23-25H,10H2,(H2,20,22)/t17-,18-/m1/s1
InChIKeyQBCMDHXGPUYPKI-QZTJIDSGSA-N
XLogP2.07
TPSA112.49 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.07
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

2-(6-Amino-5-phenylpyridazin-3-yl)phenol
CID 137045897
Smarca2/4-IN-2
CID 136145607
2-(6-Amino-5-phenyl-pyridazin-3-yl)-4-fluoro-phenol
CID 137029413
US10308614, Example 231
CID 137029431
US10308614, Example 232
CID 137029433
2-(6-Amino-5-phenylpyridazin-3-yl)-3-fluorophenol
CID 137045915
2-(6-Amino-5-phenylpyridazin-3-yl)-6-fluorophenol
CID 137045957
Phenol, 4-(6-amino-5-methyl-3-pyridazinyl)-, monohydrochloride
CID 135770315
US10308614, Example 189
CID 137029365
US10308614, Example 210
CID 137029376
US10308614, Example 213
CID 137029389
US10308614, Example 223
CID 137029397

Frequently Asked Questions

What is the IUPAC name of (1R,2R)-1-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-3-phenylpropane-1,2-diol?
The IUPAC name of (1R,2R)-1-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-3-phenylpropane-1,2-diol (CID 137029442) is (1R,2R)-1-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-3-phenylpropane-1,2-diol.
What is the SMILES notation for (1R,2R)-1-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-3-phenylpropane-1,2-diol?
The canonical SMILES for (1R,2R)-1-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-3-phenylpropane-1,2-diol is Nc1nnc(-c2ccccc2O)cc1[C@@H](O)[C@H](O)Cc1ccccc1.
What is the InChIKey of (1R,2R)-1-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-3-phenylpropane-1,2-diol?
The InChIKey is QBCMDHXGPUYPKI-QZTJIDSGSA-N. The full InChI is InChI=1S/C19H19N3O3/c20-19-14(18(25)17(24)10-12-6-2-1-3-7-12)11-15(21-22-19)13-8-4-5-9-16(13)23/h1-9,11,17-18,23-25H,10H2,(H2,20,22)/t17-,18-/m1/s1.
What are the key properties of (1R,2R)-1-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-3-phenylpropane-1,2-diol?
(1R,2R)-1-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-3-phenylpropane-1,2-diol has a molecular weight of 337.38 g/mol, XLogP of 2.07, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R)-1-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-3-phenylpropane-1,2-diol is sourced from PubChem (CID 137029442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).