4-[(1-methyl-1,2,4-triazol-3-yl)oxy]-1H-pyrazolo[5,4-d]pyrimidin-6-amine

C8H8N8O — CID 106598643

IUPAC4-[(1-methyl-1,2,4-triazol-3-yl)oxy]-1H-pyrazolo[5,4-d]pyrimidin-6-amine
SMILESCn1cnc(Oc2nc(N)nc3[nH]ncc23)n1
InChIInChI=1S/C8H8N8O/c1-16-3-10-8(15-16)17-6-4-2-11-14-5(4)12-7(9)13-6/h2-3H,1H3,(H3,9,11,12,13,14)
InChIKeyCFCMIXQVODFGDO-UHFFFAOYSA-N
MW232.21 g/mol
LogP-0.14
Rot. Bonds2

About 4-[(1-methyl-1,2,4-triazol-3-yl)oxy]-1H-pyrazolo[5,4-d]pyrimidin-6-amine

4-[(1-methyl-1,2,4-triazol-3-yl)oxy]-1H-pyrazolo[5,4-d]pyrimidin-6-amine (PubChem CID 106598643) has the molecular formula C8H8N8O and a molecular weight of 232.21 g/mol. Its IUPAC name is 4-[(1-methyl-1,2,4-triazol-3-yl)oxy]-1H-pyrazolo[5,4-d]pyrimidin-6-amine.

Molecular Properties

Compound Name4-[(1-methyl-1,2,4-triazol-3-yl)oxy]-1H-pyrazolo[5,4-d]pyrimidin-6-amine
PubChem CID106598643
Molecular FormulaC8H8N8O
Molecular Weight232.21 g/mol
Exact Mass232.08
IUPAC Name4-[(1-methyl-1,2,4-triazol-3-yl)oxy]-1H-pyrazolo[5,4-d]pyrimidin-6-amine
SMILESCn1cnc(Oc2nc(N)nc3[nH]ncc23)n1
InChIInChI=1S/C8H8N8O/c1-16-3-10-8(15-16)17-6-4-2-11-14-5(4)12-7(9)13-6/h2-3H,1H3,(H3,9,11,12,13,14)
InChIKeyCFCMIXQVODFGDO-UHFFFAOYSA-N
XLogP-0.14
TPSA120.42 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.21
LogP ≤ 5-0.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[(1-methyl-1,2,4-triazol-3-yl)oxy]-1H-pyrazolo[5,4-d]pyrimidin-6-amine?
The IUPAC name of 4-[(1-methyl-1,2,4-triazol-3-yl)oxy]-1H-pyrazolo[5,4-d]pyrimidin-6-amine (CID 106598643) is 4-[(1-methyl-1,2,4-triazol-3-yl)oxy]-1H-pyrazolo[5,4-d]pyrimidin-6-amine.
What is the SMILES notation for 4-[(1-methyl-1,2,4-triazol-3-yl)oxy]-1H-pyrazolo[5,4-d]pyrimidin-6-amine?
The canonical SMILES for 4-[(1-methyl-1,2,4-triazol-3-yl)oxy]-1H-pyrazolo[5,4-d]pyrimidin-6-amine is Cn1cnc(Oc2nc(N)nc3[nH]ncc23)n1.
What is the InChIKey of 4-[(1-methyl-1,2,4-triazol-3-yl)oxy]-1H-pyrazolo[5,4-d]pyrimidin-6-amine?
The InChIKey is CFCMIXQVODFGDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N8O/c1-16-3-10-8(15-16)17-6-4-2-11-14-5(4)12-7(9)13-6/h2-3H,1H3,(H3,9,11,12,13,14).
What are the key properties of 4-[(1-methyl-1,2,4-triazol-3-yl)oxy]-1H-pyrazolo[5,4-d]pyrimidin-6-amine?
4-[(1-methyl-1,2,4-triazol-3-yl)oxy]-1H-pyrazolo[5,4-d]pyrimidin-6-amine has a molecular weight of 232.21 g/mol, XLogP of -0.14, 2 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-methyl-1,2,4-triazol-3-yl)oxy]-1H-pyrazolo[5,4-d]pyrimidin-6-amine is sourced from PubChem (CID 106598643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).