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

C20H20N4O2 — CID 137291794

IUPAC2-[6-amino-5-[hydroxy-[[(1R,2S)-2-phenylcyclopropyl]amino]methyl]pyridazin-3-yl]phenol
SMILESNc1nnc(-c2ccccc2O)cc1C(O)N[C@@H]1C[C@H]1c1ccccc1
InChIInChI=1S/C20H20N4O2/c21-19-15(11-17(23-24-19)13-8-4-5-9-18(13)25)20(26)22-16-10-14(16)12-6-2-1-3-7-12/h1-9,11,14,16,20,22,25-26H,10H2,(H2,21,24)/t14-,16+,20?/m0/s1
InChIKeyDAICNRSIRBJOKX-DBMQZSJKSA-N
MW348.41 g/mol
LogP2.57
Rot. Bonds5

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

2-[6-amino-5-[hydroxy-[[(1R,2S)-2-phenylcyclopropyl]amino]methyl]pyridazin-3-yl]phenol (PubChem CID 137291794) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is 2-[6-amino-5-[hydroxy-[[(1R,2S)-2-phenylcyclopropyl]amino]methyl]pyridazin-3-yl]phenol.

Molecular Properties

Compound Name2-[6-amino-5-[hydroxy-[[(1R,2S)-2-phenylcyclopropyl]amino]methyl]pyridazin-3-yl]phenol
PubChem CID137291794
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC Name2-[6-amino-5-[hydroxy-[[(1R,2S)-2-phenylcyclopropyl]amino]methyl]pyridazin-3-yl]phenol
SMILESNc1nnc(-c2ccccc2O)cc1C(O)N[C@@H]1C[C@H]1c1ccccc1
InChIInChI=1S/C20H20N4O2/c21-19-15(11-17(23-24-19)13-8-4-5-9-18(13)25)20(26)22-16-10-14(16)12-6-2-1-3-7-12/h1-9,11,14,16,20,22,25-26H,10H2,(H2,21,24)/t14-,16+,20?/m0/s1
InChIKeyDAICNRSIRBJOKX-DBMQZSJKSA-N
XLogP2.57
TPSA104.29 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 52.57
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 2-[6-amino-5-[hydroxy-[[(1R,2S)-2-phenylcyclopropyl]amino]methyl]pyridazin-3-yl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(6-Amino-5-phenylpyridazin-3-yl)phenol
CID 137045897
5-cyclopropyl-2-[4-methyl-6-[[(3R)-1-methylpiperidin-3-yl]amino]pyridazin-3-yl]phenol
CID 164544826
US10308614, Example 189
CID 137029365
US10308614, Example 213
CID 137029389
US10308614, Example 223
CID 137029397
US10308614, Example 216
CID 137029440
US10308614, Example 201
CID 137029442
US10308614, Example 190
CID 137029444
US10308614, Example 235
CID 137029452
2-(6-amino-5-((1,4-trans)-4-methylcyclohexyl)pyridazin-3-yl)phenol and Cis-2-(6-amino-5-((1,4-cis-4-methylcyclohexyl)pyridazin-3-yl)phenol
CID 137029474
US10308614, Example 214
CID 137029489
US10308614, Example 211
CID 137029491

Frequently Asked Questions

What is the IUPAC name of 2-[6-amino-5-[hydroxy-[[(1R,2S)-2-phenylcyclopropyl]amino]methyl]pyridazin-3-yl]phenol?
The IUPAC name of 2-[6-amino-5-[hydroxy-[[(1R,2S)-2-phenylcyclopropyl]amino]methyl]pyridazin-3-yl]phenol (CID 137291794) is 2-[6-amino-5-[hydroxy-[[(1R,2S)-2-phenylcyclopropyl]amino]methyl]pyridazin-3-yl]phenol.
What is the SMILES notation for 2-[6-amino-5-[hydroxy-[[(1R,2S)-2-phenylcyclopropyl]amino]methyl]pyridazin-3-yl]phenol?
The canonical SMILES for 2-[6-amino-5-[hydroxy-[[(1R,2S)-2-phenylcyclopropyl]amino]methyl]pyridazin-3-yl]phenol is Nc1nnc(-c2ccccc2O)cc1C(O)N[C@@H]1C[C@H]1c1ccccc1.
What is the InChIKey of 2-[6-amino-5-[hydroxy-[[(1R,2S)-2-phenylcyclopropyl]amino]methyl]pyridazin-3-yl]phenol?
The InChIKey is DAICNRSIRBJOKX-DBMQZSJKSA-N. The full InChI is InChI=1S/C20H20N4O2/c21-19-15(11-17(23-24-19)13-8-4-5-9-18(13)25)20(26)22-16-10-14(16)12-6-2-1-3-7-12/h1-9,11,14,16,20,22,25-26H,10H2,(H2,21,24)/t14-,16+,20?/m0/s1.
What are the key properties of 2-[6-amino-5-[hydroxy-[[(1R,2S)-2-phenylcyclopropyl]amino]methyl]pyridazin-3-yl]phenol?
2-[6-amino-5-[hydroxy-[[(1R,2S)-2-phenylcyclopropyl]amino]methyl]pyridazin-3-yl]phenol has a molecular weight of 348.41 g/mol, XLogP of 2.57, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-amino-5-[hydroxy-[[(1R,2S)-2-phenylcyclopropyl]amino]methyl]pyridazin-3-yl]phenol is sourced from PubChem (CID 137291794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).