(3R)-1-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]azecan-3-ol

C19H26N4O2 — CID 137291772

IUPAC(3R)-1-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]azecan-3-ol
SMILESNc1nnc(-c2ccccc2O)cc1N1CCCCCCC[C@@H](O)C1
InChIInChI=1S/C19H26N4O2/c20-19-17(23-11-7-3-1-2-4-8-14(24)13-23)12-16(21-22-19)15-9-5-6-10-18(15)25/h5-6,9-10,12,14,24-25H,1-4,7-8,11,13H2,(H2,20,22)/t14-/m1/s1
InChIKeyDYZANQZNAMXCOS-CQSZACIVSA-N
MW342.44 g/mol
LogP2.95
Rot. Bonds2

About (3R)-1-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]azecan-3-ol

(3R)-1-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]azecan-3-ol (PubChem CID 137291772) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is (3R)-1-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]azecan-3-ol.

Molecular Properties

Compound Name(3R)-1-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]azecan-3-ol
PubChem CID137291772
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name(3R)-1-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]azecan-3-ol
SMILESNc1nnc(-c2ccccc2O)cc1N1CCCCCCC[C@@H](O)C1
InChIInChI=1S/C19H26N4O2/c20-19-17(23-11-7-3-1-2-4-8-14(24)13-23)12-16(21-22-19)15-9-5-6-10-18(15)25/h5-6,9-10,12,14,24-25H,1-4,7-8,11,13H2,(H2,20,22)/t14-/m1/s1
InChIKeyDYZANQZNAMXCOS-CQSZACIVSA-N
XLogP2.95
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

(3R)-1-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperidin-3-ol
CID 162668961
2-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol
CID 137029537
2-[6-amino-5-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenol
CID 152825660
2-[6-amino-5-[(1S,6R)-3-azatricyclo[4.3.1.08,10]decan-3-yl]pyridazin-3-yl]phenol
CID 174366750
2-[6-amino-5-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenol
CID 147428670
2-[6-amino-5-[(2R,6R)-2,6-dimethylmorpholin-4-yl]pyridazin-3-yl]phenol
CID 137029504
2-[6-amino-5-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenol;ethane
CID 171638010
2-[6-amino-5-[8-(4-fluorophenyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]pyridazin-3-yl]phenol
CID 137029391
N-[3-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-3-azabicyclo[3.1.0]hexan-6-yl]acetamide
CID 170700230
2-[6-amino-5-(4-ethylpiperazin-1-yl)pyridazin-3-yl]phenol
CID 171638960
2-[6-amino-5-[4-[(1R)-1-(dimethylamino)ethyl]piperidin-1-yl]pyridazin-3-yl]phenol
CID 137029494
1-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperazin-1-yl]ethanone;ethane
CID 160949822

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]azecan-3-ol?
The IUPAC name of (3R)-1-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]azecan-3-ol (CID 137291772) is (3R)-1-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]azecan-3-ol.
What is the SMILES notation for (3R)-1-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]azecan-3-ol?
The canonical SMILES for (3R)-1-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]azecan-3-ol is Nc1nnc(-c2ccccc2O)cc1N1CCCCCCC[C@@H](O)C1.
What is the InChIKey of (3R)-1-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]azecan-3-ol?
The InChIKey is DYZANQZNAMXCOS-CQSZACIVSA-N. The full InChI is InChI=1S/C19H26N4O2/c20-19-17(23-11-7-3-1-2-4-8-14(24)13-23)12-16(21-22-19)15-9-5-6-10-18(15)25/h5-6,9-10,12,14,24-25H,1-4,7-8,11,13H2,(H2,20,22)/t14-/m1/s1.
What are the key properties of (3R)-1-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]azecan-3-ol?
(3R)-1-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]azecan-3-ol has a molecular weight of 342.44 g/mol, XLogP of 2.95, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]azecan-3-ol is sourced from PubChem (CID 137291772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).