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

C7H6N8 — CID 68823163

IUPAC1-(1H-1,2,4-triazol-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESNc1ncnc2c1cnn2-c1ncn[nH]1
InChIInChI=1S/C7H6N8/c8-5-4-1-13-15(6(4)10-2-9-5)7-11-3-12-14-7/h1-3H,(H2,8,9,10)(H,11,12,14)
InChIKeyNCAIUYRULVPOHG-UHFFFAOYSA-N
MW202.18 g/mol
LogP-0.48
Rot. Bonds1

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

1-(1H-1,2,4-triazol-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 68823163) has the molecular formula C7H6N8 and a molecular weight of 202.18 g/mol. Its IUPAC name is 1-(1H-1,2,4-triazol-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name1-(1H-1,2,4-triazol-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID68823163
Molecular FormulaC7H6N8
Molecular Weight202.18 g/mol
Exact Mass202.07
IUPAC Name1-(1H-1,2,4-triazol-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESNc1ncnc2c1cnn2-c1ncn[nH]1
InChIInChI=1S/C7H6N8/c8-5-4-1-13-15(6(4)10-2-9-5)7-11-3-12-14-7/h1-3H,(H2,8,9,10)(H,11,12,14)
InChIKeyNCAIUYRULVPOHG-UHFFFAOYSA-N
XLogP-0.48
TPSA111.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.18
LogP ≤ 5-0.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(1H-1,2,4-triazol-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 1-(1H-1,2,4-triazol-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine (CID 68823163) is 1-(1H-1,2,4-triazol-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 1-(1H-1,2,4-triazol-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 1-(1H-1,2,4-triazol-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine is Nc1ncnc2c1cnn2-c1ncn[nH]1.
What is the InChIKey of 1-(1H-1,2,4-triazol-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is NCAIUYRULVPOHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N8/c8-5-4-1-13-15(6(4)10-2-9-5)7-11-3-12-14-7/h1-3H,(H2,8,9,10)(H,11,12,14).
What are the key properties of 1-(1H-1,2,4-triazol-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine?
1-(1H-1,2,4-triazol-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 202.18 g/mol, XLogP of -0.48, 1 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-1,2,4-triazol-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 68823163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).