3-bromo-4-methyl-1-propylpyrazolo[4,3-d]pyrimidine-5,7-dione

C9H11BrN4O2 — CID 56694858

IUPAC3-bromo-4-methyl-1-propylpyrazolo[4,3-d]pyrimidine-5,7-dione
SMILESCCCn1nc(Br)c2c1c(=O)[nH]c(=O)n2C
InChIInChI=1S/C9H11BrN4O2/c1-3-4-14-6-5(7(10)12-14)13(2)9(16)11-8(6)15/h3-4H2,1-2H3,(H,11,15,16)
InChIKeySEPBDOVIBOBHAI-UHFFFAOYSA-N
MW287.12 g/mol
LogP0.60
Rot. Bonds2

About 3-bromo-4-methyl-1-propylpyrazolo[4,3-d]pyrimidine-5,7-dione

3-bromo-4-methyl-1-propylpyrazolo[4,3-d]pyrimidine-5,7-dione (PubChem CID 56694858) has the molecular formula C9H11BrN4O2 and a molecular weight of 287.12 g/mol. Its IUPAC name is 3-bromo-4-methyl-1-propylpyrazolo[4,3-d]pyrimidine-5,7-dione.

Molecular Properties

Compound Name3-bromo-4-methyl-1-propylpyrazolo[4,3-d]pyrimidine-5,7-dione
PubChem CID56694858
Molecular FormulaC9H11BrN4O2
Molecular Weight287.12 g/mol
Exact Mass286.01
IUPAC Name3-bromo-4-methyl-1-propylpyrazolo[4,3-d]pyrimidine-5,7-dione
SMILESCCCn1nc(Br)c2c1c(=O)[nH]c(=O)n2C
InChIInChI=1S/C9H11BrN4O2/c1-3-4-14-6-5(7(10)12-14)13(2)9(16)11-8(6)15/h3-4H2,1-2H3,(H,11,15,16)
InChIKeySEPBDOVIBOBHAI-UHFFFAOYSA-N
XLogP0.60
TPSA72.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.12
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-methyl-1-propylpyrazolo[4,3-d]pyrimidine-5,7-dione?
The IUPAC name of 3-bromo-4-methyl-1-propylpyrazolo[4,3-d]pyrimidine-5,7-dione (CID 56694858) is 3-bromo-4-methyl-1-propylpyrazolo[4,3-d]pyrimidine-5,7-dione.
What is the SMILES notation for 3-bromo-4-methyl-1-propylpyrazolo[4,3-d]pyrimidine-5,7-dione?
The canonical SMILES for 3-bromo-4-methyl-1-propylpyrazolo[4,3-d]pyrimidine-5,7-dione is CCCn1nc(Br)c2c1c(=O)[nH]c(=O)n2C.
What is the InChIKey of 3-bromo-4-methyl-1-propylpyrazolo[4,3-d]pyrimidine-5,7-dione?
The InChIKey is SEPBDOVIBOBHAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrN4O2/c1-3-4-14-6-5(7(10)12-14)13(2)9(16)11-8(6)15/h3-4H2,1-2H3,(H,11,15,16).
What are the key properties of 3-bromo-4-methyl-1-propylpyrazolo[4,3-d]pyrimidine-5,7-dione?
3-bromo-4-methyl-1-propylpyrazolo[4,3-d]pyrimidine-5,7-dione has a molecular weight of 287.12 g/mol, XLogP of 0.60, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-methyl-1-propylpyrazolo[4,3-d]pyrimidine-5,7-dione is sourced from PubChem (CID 56694858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).