2-[6-amino-5-[(1S,6R)-3-azatricyclo[4.3.1.08,10]decan-3-yl]pyridazin-3-yl]phenol

C19H22N4O — CID 174366750

IUPAC2-[6-amino-5-[(1S,6R)-3-azatricyclo[4.3.1.08,10]decan-3-yl]pyridazin-3-yl]phenol
SMILESNc1nnc(-c2ccccc2O)cc1N1CCC2CC3C[C@H](C1)C23
InChIInChI=1S/C19H22N4O/c20-19-16(9-15(21-22-19)14-3-1-2-4-17(14)24)23-6-5-11-7-12-8-13(10-23)18(11)12/h1-4,9,11-13,18,24H,5-8,10H2,(H2,20,22)/t11?,12?,13-,18?/m1/s1
InChIKeyHIBGHUNOWSGLRE-CPHYDAQHSA-N
MW322.41 g/mol
LogP2.91
Rot. Bonds2

About 2-[6-amino-5-[(1S,6R)-3-azatricyclo[4.3.1.08,10]decan-3-yl]pyridazin-3-yl]phenol

2-[6-amino-5-[(1S,6R)-3-azatricyclo[4.3.1.08,10]decan-3-yl]pyridazin-3-yl]phenol (PubChem CID 174366750) has the molecular formula C19H22N4O and a molecular weight of 322.41 g/mol. Its IUPAC name is 2-[6-amino-5-[(1S,6R)-3-azatricyclo[4.3.1.08,10]decan-3-yl]pyridazin-3-yl]phenol.

Molecular Properties

Compound Name2-[6-amino-5-[(1S,6R)-3-azatricyclo[4.3.1.08,10]decan-3-yl]pyridazin-3-yl]phenol
PubChem CID174366750
Molecular FormulaC19H22N4O
Molecular Weight322.41 g/mol
Exact Mass322.18
IUPAC Name2-[6-amino-5-[(1S,6R)-3-azatricyclo[4.3.1.08,10]decan-3-yl]pyridazin-3-yl]phenol
SMILESNc1nnc(-c2ccccc2O)cc1N1CCC2CC3C[C@H](C1)C23
InChIInChI=1S/C19H22N4O/c20-19-16(9-15(21-22-19)14-3-1-2-4-17(14)24)23-6-5-11-7-12-8-13(10-23)18(11)12/h1-4,9,11-13,18,24H,5-8,10H2,(H2,20,22)/t11?,12?,13-,18?/m1/s1
InChIKeyHIBGHUNOWSGLRE-CPHYDAQHSA-N
XLogP2.91
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[6-amino-5-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenol
CID 152825660
(3R)-1-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperidin-3-ol
CID 162668961
(3R)-1-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]azecan-3-ol
CID 137291772
2-[6-amino-5-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenol
CID 147428670
2-[5-[(3aR,6aS)-2-benzyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-6-aminopyridazin-3-yl]phenol
CID 137029430
2-[6-amino-5-[(2R,6R)-2,6-dimethylmorpholin-4-yl]pyridazin-3-yl]phenol
CID 137029504
2-[6-amino-5-[4-[(1R)-1-(dimethylamino)ethyl]piperidin-1-yl]pyridazin-3-yl]phenol
CID 137029494
2-[6-amino-5-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenol;ethane
CID 171638010
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-ethylpiperazin-1-yl)pyridazin-3-yl]phenol
CID 171638960
1-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperazin-1-yl]ethanone;ethane
CID 160949822
1-[(2R,6R)-4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-2,6-dimethylpiperazin-1-yl]ethanone
CID 137029449

Frequently Asked Questions

What is the IUPAC name of 2-[6-amino-5-[(1S,6R)-3-azatricyclo[4.3.1.08,10]decan-3-yl]pyridazin-3-yl]phenol?
The IUPAC name of 2-[6-amino-5-[(1S,6R)-3-azatricyclo[4.3.1.08,10]decan-3-yl]pyridazin-3-yl]phenol (CID 174366750) is 2-[6-amino-5-[(1S,6R)-3-azatricyclo[4.3.1.08,10]decan-3-yl]pyridazin-3-yl]phenol.
What is the SMILES notation for 2-[6-amino-5-[(1S,6R)-3-azatricyclo[4.3.1.08,10]decan-3-yl]pyridazin-3-yl]phenol?
The canonical SMILES for 2-[6-amino-5-[(1S,6R)-3-azatricyclo[4.3.1.08,10]decan-3-yl]pyridazin-3-yl]phenol is Nc1nnc(-c2ccccc2O)cc1N1CCC2CC3C[C@H](C1)C23.
What is the InChIKey of 2-[6-amino-5-[(1S,6R)-3-azatricyclo[4.3.1.08,10]decan-3-yl]pyridazin-3-yl]phenol?
The InChIKey is HIBGHUNOWSGLRE-CPHYDAQHSA-N. The full InChI is InChI=1S/C19H22N4O/c20-19-16(9-15(21-22-19)14-3-1-2-4-17(14)24)23-6-5-11-7-12-8-13(10-23)18(11)12/h1-4,9,11-13,18,24H,5-8,10H2,(H2,20,22)/t11?,12?,13-,18?/m1/s1.
What are the key properties of 2-[6-amino-5-[(1S,6R)-3-azatricyclo[4.3.1.08,10]decan-3-yl]pyridazin-3-yl]phenol?
2-[6-amino-5-[(1S,6R)-3-azatricyclo[4.3.1.08,10]decan-3-yl]pyridazin-3-yl]phenol has a molecular weight of 322.41 g/mol, XLogP of 2.91, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-amino-5-[(1S,6R)-3-azatricyclo[4.3.1.08,10]decan-3-yl]pyridazin-3-yl]phenol is sourced from PubChem (CID 174366750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).