5-methyl-2-[7-[[(3R)-1-methylpiperidin-3-yl]amino]pyrazolo[1,5-d][1,2,4]triazin-4-yl]phenol

C18H22N6O — CID 169224882

IUPAC5-methyl-2-[7-[[(3R)-1-methylpiperidin-3-yl]amino]pyrazolo[1,5-d][1,2,4]triazin-4-yl]phenol
SMILESCc1ccc(-c2nnc(N[C@@H]3CCCN(C)C3)n3nccc23)c(O)c1
InChIInChI=1S/C18H22N6O/c1-12-5-6-14(16(25)10-12)17-15-7-8-19-24(15)18(22-21-17)20-13-4-3-9-23(2)11-13/h5-8,10,13,25H,3-4,9,11H2,1-2H3,(H,20,22)/t13-/m1/s1
InChIKeyPMVIKBFSYODWBU-CYBMUJFWSA-N
MW338.42 g/mol
LogP2.31
Rot. Bonds3

About 5-methyl-2-[7-[[(3R)-1-methylpiperidin-3-yl]amino]pyrazolo[1,5-d][1,2,4]triazin-4-yl]phenol

5-methyl-2-[7-[[(3R)-1-methylpiperidin-3-yl]amino]pyrazolo[1,5-d][1,2,4]triazin-4-yl]phenol (PubChem CID 169224882) has the molecular formula C18H22N6O and a molecular weight of 338.42 g/mol. Its IUPAC name is 5-methyl-2-[7-[[(3R)-1-methylpiperidin-3-yl]amino]pyrazolo[1,5-d][1,2,4]triazin-4-yl]phenol.

Molecular Properties

Compound Name5-methyl-2-[7-[[(3R)-1-methylpiperidin-3-yl]amino]pyrazolo[1,5-d][1,2,4]triazin-4-yl]phenol
PubChem CID169224882
Molecular FormulaC18H22N6O
Molecular Weight338.42 g/mol
Exact Mass338.19
IUPAC Name5-methyl-2-[7-[[(3R)-1-methylpiperidin-3-yl]amino]pyrazolo[1,5-d][1,2,4]triazin-4-yl]phenol
SMILESCc1ccc(-c2nnc(N[C@@H]3CCCN(C)C3)n3nccc23)c(O)c1
InChIInChI=1S/C18H22N6O/c1-12-5-6-14(16(25)10-12)17-15-7-8-19-24(15)18(22-21-17)20-13-4-3-9-23(2)11-13/h5-8,10,13,25H,3-4,9,11H2,1-2H3,(H,20,22)/t13-/m1/s1
InChIKeyPMVIKBFSYODWBU-CYBMUJFWSA-N
XLogP2.31
TPSA78.58 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.42
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[7-[[(3R)-1-methylpiperidin-3-yl]amino]pyrazolo[1,5-d][1,2,4]triazin-4-yl]phenol?
The IUPAC name of 5-methyl-2-[7-[[(3R)-1-methylpiperidin-3-yl]amino]pyrazolo[1,5-d][1,2,4]triazin-4-yl]phenol (CID 169224882) is 5-methyl-2-[7-[[(3R)-1-methylpiperidin-3-yl]amino]pyrazolo[1,5-d][1,2,4]triazin-4-yl]phenol.
What is the SMILES notation for 5-methyl-2-[7-[[(3R)-1-methylpiperidin-3-yl]amino]pyrazolo[1,5-d][1,2,4]triazin-4-yl]phenol?
The canonical SMILES for 5-methyl-2-[7-[[(3R)-1-methylpiperidin-3-yl]amino]pyrazolo[1,5-d][1,2,4]triazin-4-yl]phenol is Cc1ccc(-c2nnc(N[C@@H]3CCCN(C)C3)n3nccc23)c(O)c1.
What is the InChIKey of 5-methyl-2-[7-[[(3R)-1-methylpiperidin-3-yl]amino]pyrazolo[1,5-d][1,2,4]triazin-4-yl]phenol?
The InChIKey is PMVIKBFSYODWBU-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H22N6O/c1-12-5-6-14(16(25)10-12)17-15-7-8-19-24(15)18(22-21-17)20-13-4-3-9-23(2)11-13/h5-8,10,13,25H,3-4,9,11H2,1-2H3,(H,20,22)/t13-/m1/s1.
What are the key properties of 5-methyl-2-[7-[[(3R)-1-methylpiperidin-3-yl]amino]pyrazolo[1,5-d][1,2,4]triazin-4-yl]phenol?
5-methyl-2-[7-[[(3R)-1-methylpiperidin-3-yl]amino]pyrazolo[1,5-d][1,2,4]triazin-4-yl]phenol has a molecular weight of 338.42 g/mol, XLogP of 2.31, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[7-[[(3R)-1-methylpiperidin-3-yl]amino]pyrazolo[1,5-d][1,2,4]triazin-4-yl]phenol is sourced from PubChem (CID 169224882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).