3-bromo-2-ethyl-6H-pyrazolo[4,3-d]pyrimidin-7-one

C7H7BrN4O — CID 139415099

IUPAC3-bromo-2-ethyl-6H-pyrazolo[4,3-d]pyrimidin-7-one
SMILESCCn1nc2c(=O)[nH]cnc2c1Br
InChIInChI=1S/C7H7BrN4O/c1-2-12-6(8)4-5(11-12)7(13)10-3-9-4/h3H,2H2,1H3,(H,9,10,13)
InChIKeyZBKMYPPTPKVPRX-UHFFFAOYSA-N
MW243.06 g/mol
LogP0.90
Rot. Bonds1

About 3-bromo-2-ethyl-6H-pyrazolo[4,3-d]pyrimidin-7-one

3-bromo-2-ethyl-6H-pyrazolo[4,3-d]pyrimidin-7-one (PubChem CID 139415099) has the molecular formula C7H7BrN4O and a molecular weight of 243.06 g/mol. Its IUPAC name is 3-bromo-2-ethyl-6H-pyrazolo[4,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name3-bromo-2-ethyl-6H-pyrazolo[4,3-d]pyrimidin-7-one
PubChem CID139415099
Molecular FormulaC7H7BrN4O
Molecular Weight243.06 g/mol
Exact Mass241.98
IUPAC Name3-bromo-2-ethyl-6H-pyrazolo[4,3-d]pyrimidin-7-one
SMILESCCn1nc2c(=O)[nH]cnc2c1Br
InChIInChI=1S/C7H7BrN4O/c1-2-12-6(8)4-5(11-12)7(13)10-3-9-4/h3H,2H2,1H3,(H,9,10,13)
InChIKeyZBKMYPPTPKVPRX-UHFFFAOYSA-N
XLogP0.90
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.06
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-ethyl-6H-pyrazolo[4,3-d]pyrimidin-7-one?
The IUPAC name of 3-bromo-2-ethyl-6H-pyrazolo[4,3-d]pyrimidin-7-one (CID 139415099) is 3-bromo-2-ethyl-6H-pyrazolo[4,3-d]pyrimidin-7-one.
What is the SMILES notation for 3-bromo-2-ethyl-6H-pyrazolo[4,3-d]pyrimidin-7-one?
The canonical SMILES for 3-bromo-2-ethyl-6H-pyrazolo[4,3-d]pyrimidin-7-one is CCn1nc2c(=O)[nH]cnc2c1Br.
What is the InChIKey of 3-bromo-2-ethyl-6H-pyrazolo[4,3-d]pyrimidin-7-one?
The InChIKey is ZBKMYPPTPKVPRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrN4O/c1-2-12-6(8)4-5(11-12)7(13)10-3-9-4/h3H,2H2,1H3,(H,9,10,13).
What are the key properties of 3-bromo-2-ethyl-6H-pyrazolo[4,3-d]pyrimidin-7-one?
3-bromo-2-ethyl-6H-pyrazolo[4,3-d]pyrimidin-7-one has a molecular weight of 243.06 g/mol, XLogP of 0.90, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-ethyl-6H-pyrazolo[4,3-d]pyrimidin-7-one is sourced from PubChem (CID 139415099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).