2-[7-[[(3R)-1-ethylpiperidin-3-yl]amino]pyrazolo[1,5-d][1,2,4]triazin-4-yl]-5-methylphenol

C19H24N6O — CID 171852246

IUPAC2-[7-[[(3R)-1-ethylpiperidin-3-yl]amino]pyrazolo[1,5-d][1,2,4]triazin-4-yl]-5-methylphenol
SMILESCCN1CCC[C@@H](Nc2nnc(-c3ccc(C)cc3O)c3ccnn23)C1
InChIInChI=1S/C19H24N6O/c1-3-24-10-4-5-14(12-24)21-19-23-22-18(16-8-9-20-25(16)19)15-7-6-13(2)11-17(15)26/h6-9,11,14,26H,3-5,10,12H2,1-2H3,(H,21,23)/t14-/m1/s1
InChIKeyCYBUELKMCPWUNV-CQSZACIVSA-N
MW352.44 g/mol
LogP2.70
Rot. Bonds4

About 2-[7-[[(3R)-1-ethylpiperidin-3-yl]amino]pyrazolo[1,5-d][1,2,4]triazin-4-yl]-5-methylphenol

2-[7-[[(3R)-1-ethylpiperidin-3-yl]amino]pyrazolo[1,5-d][1,2,4]triazin-4-yl]-5-methylphenol (PubChem CID 171852246) has the molecular formula C19H24N6O and a molecular weight of 352.44 g/mol. Its IUPAC name is 2-[7-[[(3R)-1-ethylpiperidin-3-yl]amino]pyrazolo[1,5-d][1,2,4]triazin-4-yl]-5-methylphenol.

Molecular Properties

Compound Name2-[7-[[(3R)-1-ethylpiperidin-3-yl]amino]pyrazolo[1,5-d][1,2,4]triazin-4-yl]-5-methylphenol
PubChem CID171852246
Molecular FormulaC19H24N6O
Molecular Weight352.44 g/mol
Exact Mass352.20
IUPAC Name2-[7-[[(3R)-1-ethylpiperidin-3-yl]amino]pyrazolo[1,5-d][1,2,4]triazin-4-yl]-5-methylphenol
SMILESCCN1CCC[C@@H](Nc2nnc(-c3ccc(C)cc3O)c3ccnn23)C1
InChIInChI=1S/C19H24N6O/c1-3-24-10-4-5-14(12-24)21-19-23-22-18(16-8-9-20-25(16)19)15-7-6-13(2)11-17(15)26/h6-9,11,14,26H,3-5,10,12H2,1-2H3,(H,21,23)/t14-/m1/s1
InChIKeyCYBUELKMCPWUNV-CQSZACIVSA-N
XLogP2.70
TPSA78.58 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

5-methyl-2-[2-methyl-7-[[(3R)-1-methylpiperidin-3-yl]amino]pyrazolo[1,5-d][1,2,4]triazin-4-yl]phenol
CID 169224900
N-(1-ethylpiperidin-3-yl)-2-methyl-4-(4-methylphenyl)pyrazolo[1,5-d][1,2,4]triazin-7-amine
CID 169153997
2-[4-[[(3S)-1-ethylpiperidin-3-yl]amino]-7-methylphthalazin-1-yl]-5-methylsulfonylphenol
CID 177308718
1-[2,4-bis(trifluoromethyl)phenyl]-N-(1-ethylpiperidin-3-yl)-7-methylpyrrolo[1,2-d][1,2,4]triazin-4-amine
CID 170139555
2-[3-[[5-(2-hydroxy-4-methylphenyl)pyrido[2,3-d]pyridazin-8-yl]amino]piperidin-1-yl]acetamide
CID 170258922
2-[4-[[1-(2-methoxyethyl)piperidin-3-yl]amino]-7,8-dihydro-5H-pyrano[3,4-d]pyridazin-1-yl]-5-methylphenol
CID 170166407
2-[2-[3-[[6-(2-hydroxy-4-methylphenyl)-5-methylpyridazin-3-yl]amino]piperidin-1-yl]ethoxy]acetic acid
CID 178140824
N-(1-ethylpiperidin-3-yl)-1-[4-methoxy-2-(trifluoromethoxy)phenyl]pyrrolo[1,2-d][1,2,4]triazin-4-amine
CID 169153980
N-(1-ethylpiperidin-3-yl)-2-hydroxy-5-methylbenzamide
CID 47344801
2-[4-[[(3R)-1-(2-hydroxy-2-methylpropyl)piperidin-3-yl]amino]pyrrolo[1,2-d][1,2,4]triazin-1-yl]-5-(trifluoromethyl)phenol
CID 171852562
[2-[5-[(Z)-2-aminoprop-1-enyl]-3-[(1-ethylpiperidin-3-yl)amino]-1,2,4-triazin-6-yl]-5-methylphenyl]-hydroxy-methylsulfanium
CID 169154043
5-[3-[[(3R)-1-ethylpiperidin-3-yl]amino]-5-methyl-1,2,4-triazin-6-yl]-1-benzothiophen-6-ol
CID 176918012

Frequently Asked Questions

What is the IUPAC name of 2-[7-[[(3R)-1-ethylpiperidin-3-yl]amino]pyrazolo[1,5-d][1,2,4]triazin-4-yl]-5-methylphenol?
The IUPAC name of 2-[7-[[(3R)-1-ethylpiperidin-3-yl]amino]pyrazolo[1,5-d][1,2,4]triazin-4-yl]-5-methylphenol (CID 171852246) is 2-[7-[[(3R)-1-ethylpiperidin-3-yl]amino]pyrazolo[1,5-d][1,2,4]triazin-4-yl]-5-methylphenol.
What is the SMILES notation for 2-[7-[[(3R)-1-ethylpiperidin-3-yl]amino]pyrazolo[1,5-d][1,2,4]triazin-4-yl]-5-methylphenol?
The canonical SMILES for 2-[7-[[(3R)-1-ethylpiperidin-3-yl]amino]pyrazolo[1,5-d][1,2,4]triazin-4-yl]-5-methylphenol is CCN1CCC[C@@H](Nc2nnc(-c3ccc(C)cc3O)c3ccnn23)C1.
What is the InChIKey of 2-[7-[[(3R)-1-ethylpiperidin-3-yl]amino]pyrazolo[1,5-d][1,2,4]triazin-4-yl]-5-methylphenol?
The InChIKey is CYBUELKMCPWUNV-CQSZACIVSA-N. The full InChI is InChI=1S/C19H24N6O/c1-3-24-10-4-5-14(12-24)21-19-23-22-18(16-8-9-20-25(16)19)15-7-6-13(2)11-17(15)26/h6-9,11,14,26H,3-5,10,12H2,1-2H3,(H,21,23)/t14-/m1/s1.
What are the key properties of 2-[7-[[(3R)-1-ethylpiperidin-3-yl]amino]pyrazolo[1,5-d][1,2,4]triazin-4-yl]-5-methylphenol?
2-[7-[[(3R)-1-ethylpiperidin-3-yl]amino]pyrazolo[1,5-d][1,2,4]triazin-4-yl]-5-methylphenol has a molecular weight of 352.44 g/mol, XLogP of 2.70, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-[[(3R)-1-ethylpiperidin-3-yl]amino]pyrazolo[1,5-d][1,2,4]triazin-4-yl]-5-methylphenol is sourced from PubChem (CID 171852246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).