2-[6-amino-5-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)pyridazin-3-yl]phenol

C16H16N6O — CID 137029572

IUPAC2-[6-amino-5-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)pyridazin-3-yl]phenol
SMILESNc1nnc(-c2ccccc2O)cc1N1CCc2[nH]ncc2C1
InChIInChI=1S/C16H16N6O/c17-16-14(22-6-5-12-10(9-22)8-18-19-12)7-13(20-21-16)11-3-1-2-4-15(11)23/h1-4,7-8,23H,5-6,9H2,(H2,17,21)(H,18,19)
InChIKeyLDDRTOWHJKNXAL-UHFFFAOYSA-N
MW308.35 g/mol
LogP1.72
Rot. Bonds2

About 2-[6-amino-5-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)pyridazin-3-yl]phenol

2-[6-amino-5-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)pyridazin-3-yl]phenol (PubChem CID 137029572) has the molecular formula C16H16N6O and a molecular weight of 308.35 g/mol. Its IUPAC name is 2-[6-amino-5-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)pyridazin-3-yl]phenol.

Molecular Properties

Compound Name2-[6-amino-5-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)pyridazin-3-yl]phenol
PubChem CID137029572
Molecular FormulaC16H16N6O
Molecular Weight308.35 g/mol
Exact Mass308.14
IUPAC Name2-[6-amino-5-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)pyridazin-3-yl]phenol
SMILESNc1nnc(-c2ccccc2O)cc1N1CCc2[nH]ncc2C1
InChIInChI=1S/C16H16N6O/c17-16-14(22-6-5-12-10(9-22)8-18-19-12)7-13(20-21-16)11-3-1-2-4-15(11)23/h1-4,7-8,23H,5-6,9H2,(H2,17,21)(H,18,19)
InChIKeyLDDRTOWHJKNXAL-UHFFFAOYSA-N
XLogP1.72
TPSA103.95 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.35
LogP ≤ 51.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-[6-amino-5-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenol
CID 147428670
2-[6-amino-5-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenol;ethane
CID 171638010
2-[6-amino-5-(4-ethylpiperazin-1-yl)pyridazin-3-yl]phenol
CID 171638960
4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-1-phenylpiperazin-2-one
CID 137029448
2-[6-amino-5-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenol
CID 152825660
1-[6-[[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperazin-1-yl]methyl]-3-oxo-1H-isoindol-2-yl]-1,3-diazinane-2,4-dione
CID 172610774
1-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperazin-1-yl]ethanone;ethane
CID 160949822
1-[1-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]pyrazol-4-yl]piperidin-4-one
CID 170625148
(3R)-1-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperidin-3-ol
CID 162668961
2-[6-amino-5-[(2R,6R)-2,6-dimethylmorpholin-4-yl]pyridazin-3-yl]phenol
CID 137029504
4-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperazin-1-yl]benzaldehyde
CID 155390949
1-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperazin-1-yl]-2-methylpropan-1-one
CID 169079538

Frequently Asked Questions

What is the IUPAC name of 2-[6-amino-5-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)pyridazin-3-yl]phenol?
The IUPAC name of 2-[6-amino-5-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)pyridazin-3-yl]phenol (CID 137029572) is 2-[6-amino-5-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)pyridazin-3-yl]phenol.
What is the SMILES notation for 2-[6-amino-5-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)pyridazin-3-yl]phenol?
The canonical SMILES for 2-[6-amino-5-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)pyridazin-3-yl]phenol is Nc1nnc(-c2ccccc2O)cc1N1CCc2[nH]ncc2C1.
What is the InChIKey of 2-[6-amino-5-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)pyridazin-3-yl]phenol?
The InChIKey is LDDRTOWHJKNXAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N6O/c17-16-14(22-6-5-12-10(9-22)8-18-19-12)7-13(20-21-16)11-3-1-2-4-15(11)23/h1-4,7-8,23H,5-6,9H2,(H2,17,21)(H,18,19).
What are the key properties of 2-[6-amino-5-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)pyridazin-3-yl]phenol?
2-[6-amino-5-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)pyridazin-3-yl]phenol has a molecular weight of 308.35 g/mol, XLogP of 1.72, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-amino-5-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)pyridazin-3-yl]phenol is sourced from PubChem (CID 137029572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).