(3aR)-3aH-pyrazolo[3,4-d]pyrimidine-3,4,6-triamine

C5H7N7 — CID 98132225

IUPAC(3aR)-3aH-pyrazolo[3,4-d]pyrimidine-3,4,6-triamine
SMILESNC1=NC2=NN=C(N)[C@H]2C(N)=N1
InChIInChI=1S/C5H7N7/c6-2-1-3(7)11-12-4(1)10-5(8)9-2/h1H,(H2,7,11)(H4,6,8,9,10,12)/t1-/m1/s1
InChIKeyLMXMXXHXTCYUAU-PVQJCKRUSA-N
MW165.16 g/mol
LogP-2.03
Rot. Bonds

About (3aR)-3aH-pyrazolo[3,4-d]pyrimidine-3,4,6-triamine

(3aR)-3aH-pyrazolo[3,4-d]pyrimidine-3,4,6-triamine (PubChem CID 98132225) has the molecular formula C5H7N7 and a molecular weight of 165.16 g/mol. Its IUPAC name is (3aR)-3aH-pyrazolo[3,4-d]pyrimidine-3,4,6-triamine.

Molecular Properties

Compound Name(3aR)-3aH-pyrazolo[3,4-d]pyrimidine-3,4,6-triamine
PubChem CID98132225
Molecular FormulaC5H7N7
Molecular Weight165.16 g/mol
Exact Mass165.08
IUPAC Name(3aR)-3aH-pyrazolo[3,4-d]pyrimidine-3,4,6-triamine
SMILESNC1=NC2=NN=C(N)[C@H]2C(N)=N1
InChIInChI=1S/C5H7N7/c6-2-1-3(7)11-12-4(1)10-5(8)9-2/h1H,(H2,7,11)(H4,6,8,9,10,12)/t1-/m1/s1
InChIKeyLMXMXXHXTCYUAU-PVQJCKRUSA-N
XLogP-2.03
TPSA127.50 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.16
LogP ≤ 5-2.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (3aR)-3aH-pyrazolo[3,4-d]pyrimidine-3,4,6-triamine?
The IUPAC name of (3aR)-3aH-pyrazolo[3,4-d]pyrimidine-3,4,6-triamine (CID 98132225) is (3aR)-3aH-pyrazolo[3,4-d]pyrimidine-3,4,6-triamine.
What is the SMILES notation for (3aR)-3aH-pyrazolo[3,4-d]pyrimidine-3,4,6-triamine?
The canonical SMILES for (3aR)-3aH-pyrazolo[3,4-d]pyrimidine-3,4,6-triamine is NC1=NC2=NN=C(N)[C@H]2C(N)=N1.
What is the InChIKey of (3aR)-3aH-pyrazolo[3,4-d]pyrimidine-3,4,6-triamine?
The InChIKey is LMXMXXHXTCYUAU-PVQJCKRUSA-N. The full InChI is InChI=1S/C5H7N7/c6-2-1-3(7)11-12-4(1)10-5(8)9-2/h1H,(H2,7,11)(H4,6,8,9,10,12)/t1-/m1/s1.
What are the key properties of (3aR)-3aH-pyrazolo[3,4-d]pyrimidine-3,4,6-triamine?
(3aR)-3aH-pyrazolo[3,4-d]pyrimidine-3,4,6-triamine has a molecular weight of 165.16 g/mol, XLogP of -2.03, 0 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR)-3aH-pyrazolo[3,4-d]pyrimidine-3,4,6-triamine is sourced from PubChem (CID 98132225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).