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

C7H6N8 — CID 122381066

IUPAC3-(2H-triazol-4-yl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine
SMILESNc1ncnc2n[nH]c(-c3cn[nH]n3)c12
InChIInChI=1S/C7H6N8/c8-6-4-5(3-1-11-15-12-3)13-14-7(4)10-2-9-6/h1-2H,(H,11,12,15)(H3,8,9,10,13,14)
InChIKeySUVIQYJGODYTAJ-UHFFFAOYSA-N
MW202.18 g/mol
LogP-0.28
Rot. Bonds1

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

3-(2H-triazol-4-yl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 122381066) has the molecular formula C7H6N8 and a molecular weight of 202.18 g/mol. Its IUPAC name is 3-(2H-triazol-4-yl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name3-(2H-triazol-4-yl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID122381066
Molecular FormulaC7H6N8
Molecular Weight202.18 g/mol
Exact Mass202.07
IUPAC Name3-(2H-triazol-4-yl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine
SMILESNc1ncnc2n[nH]c(-c3cn[nH]n3)c12
InChIInChI=1S/C7H6N8/c8-6-4-5(3-1-11-15-12-3)13-14-7(4)10-2-9-6/h1-2H,(H,11,12,15)(H3,8,9,10,13,14)
InChIKeySUVIQYJGODYTAJ-UHFFFAOYSA-N
XLogP-0.28
TPSA122.05 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.18
LogP ≤ 5-0.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3-(1H-indazol-6-yl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 141364781
[4-(4-amino-2H-pyrazolo[3,4-d]pyrimidin-3-yl)phenyl]methanol
CID 123607458
3-[4-(dimethylamino)phenyl]-2H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 123666078
3-fluoro-2H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 122381068
3-(3,5-difluoro-4-methoxyphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 66580326
3-(3-fluorophenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 53234528
3-(2,3-dimethylphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 24905255
3-(1-benzylpyrazol-4-yl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 123589966
3-nitro-2H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 137086508
3-tert-butyl-2H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 55271281
3-(2-phenoxyphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 130454662
3-[4-(1-methoxyethyl)phenyl]-2H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 119069322

Frequently Asked Questions

What is the IUPAC name of 3-(2H-triazol-4-yl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 3-(2H-triazol-4-yl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine (CID 122381066) is 3-(2H-triazol-4-yl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 3-(2H-triazol-4-yl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 3-(2H-triazol-4-yl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine is Nc1ncnc2n[nH]c(-c3cn[nH]n3)c12.
What is the InChIKey of 3-(2H-triazol-4-yl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is SUVIQYJGODYTAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N8/c8-6-4-5(3-1-11-15-12-3)13-14-7(4)10-2-9-6/h1-2H,(H,11,12,15)(H3,8,9,10,13,14).
What are the key properties of 3-(2H-triazol-4-yl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine?
3-(2H-triazol-4-yl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 202.18 g/mol, XLogP of -0.28, 1 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2H-triazol-4-yl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 122381066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).