3-N-(3-chlorophenyl)-2H-pyrazolo[3,4-d]pyrimidine-3,4,6-triamine

C11H10ClN7 — CID 5327821

IUPAC3-N-(3-chlorophenyl)-2H-pyrazolo[3,4-d]pyrimidine-3,4,6-triamine
SMILESNc1nc(N)c2c(Nc3cccc(Cl)c3)[nH]nc2n1
InChIInChI=1S/C11H10ClN7/c12-5-2-1-3-6(4-5)15-9-7-8(13)16-11(14)17-10(7)19-18-9/h1-4H,(H6,13,14,15,16,17,18,19)
InChIKeyYASYSLUSCVNMAJ-UHFFFAOYSA-N
MW275.70 g/mol
LogP1.91
Rot. Bonds2

About 3-N-(3-chlorophenyl)-2H-pyrazolo[3,4-d]pyrimidine-3,4,6-triamine

3-N-(3-chlorophenyl)-2H-pyrazolo[3,4-d]pyrimidine-3,4,6-triamine (PubChem CID 5327821) has the molecular formula C11H10ClN7 and a molecular weight of 275.70 g/mol. Its IUPAC name is 3-N-(3-chlorophenyl)-2H-pyrazolo[3,4-d]pyrimidine-3,4,6-triamine.

Molecular Properties

Compound Name3-N-(3-chlorophenyl)-2H-pyrazolo[3,4-d]pyrimidine-3,4,6-triamine
PubChem CID5327821
Molecular FormulaC11H10ClN7
Molecular Weight275.70 g/mol
Exact Mass275.07
IUPAC Name3-N-(3-chlorophenyl)-2H-pyrazolo[3,4-d]pyrimidine-3,4,6-triamine
SMILESNc1nc(N)c2c(Nc3cccc(Cl)c3)[nH]nc2n1
InChIInChI=1S/C11H10ClN7/c12-5-2-1-3-6(4-5)15-9-7-8(13)16-11(14)17-10(7)19-18-9/h1-4H,(H6,13,14,15,16,17,18,19)
InChIKeyYASYSLUSCVNMAJ-UHFFFAOYSA-N
XLogP1.91
TPSA118.53 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.70
LogP ≤ 51.91
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-N-(3-chlorophenyl)-2H-pyrazolo[3,4-d]pyrimidine-3,4,6-triamine?
The IUPAC name of 3-N-(3-chlorophenyl)-2H-pyrazolo[3,4-d]pyrimidine-3,4,6-triamine (CID 5327821) is 3-N-(3-chlorophenyl)-2H-pyrazolo[3,4-d]pyrimidine-3,4,6-triamine.
What is the SMILES notation for 3-N-(3-chlorophenyl)-2H-pyrazolo[3,4-d]pyrimidine-3,4,6-triamine?
The canonical SMILES for 3-N-(3-chlorophenyl)-2H-pyrazolo[3,4-d]pyrimidine-3,4,6-triamine is Nc1nc(N)c2c(Nc3cccc(Cl)c3)[nH]nc2n1.
What is the InChIKey of 3-N-(3-chlorophenyl)-2H-pyrazolo[3,4-d]pyrimidine-3,4,6-triamine?
The InChIKey is YASYSLUSCVNMAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN7/c12-5-2-1-3-6(4-5)15-9-7-8(13)16-11(14)17-10(7)19-18-9/h1-4H,(H6,13,14,15,16,17,18,19).
What are the key properties of 3-N-(3-chlorophenyl)-2H-pyrazolo[3,4-d]pyrimidine-3,4,6-triamine?
3-N-(3-chlorophenyl)-2H-pyrazolo[3,4-d]pyrimidine-3,4,6-triamine has a molecular weight of 275.70 g/mol, XLogP of 1.91, 2 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(3-chlorophenyl)-2H-pyrazolo[3,4-d]pyrimidine-3,4,6-triamine is sourced from PubChem (CID 5327821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).