4-(dimethylamino)-1-ethyl-7H-pyrazolo[5,4-d]pyrimidin-6-one

C9H13N5O — CID 136593377

IUPAC4-(dimethylamino)-1-ethyl-7H-pyrazolo[5,4-d]pyrimidin-6-one
SMILESCCn1ncc2c(N(C)C)nc(=O)[nH]c21
InChIInChI=1S/C9H13N5O/c1-4-14-8-6(5-10-14)7(13(2)3)11-9(15)12-8/h5H,4H2,1-3H3,(H,11,12,15)
InChIKeyJTGXCUSIQLRLBW-UHFFFAOYSA-N
MW207.24 g/mol
LogP0.21
Rot. Bonds2

About 4-(dimethylamino)-1-ethyl-7H-pyrazolo[5,4-d]pyrimidin-6-one

4-(dimethylamino)-1-ethyl-7H-pyrazolo[5,4-d]pyrimidin-6-one (PubChem CID 136593377) has the molecular formula C9H13N5O and a molecular weight of 207.24 g/mol. Its IUPAC name is 4-(dimethylamino)-1-ethyl-7H-pyrazolo[5,4-d]pyrimidin-6-one.

Molecular Properties

Compound Name4-(dimethylamino)-1-ethyl-7H-pyrazolo[5,4-d]pyrimidin-6-one
PubChem CID136593377
Molecular FormulaC9H13N5O
Molecular Weight207.24 g/mol
Exact Mass207.11
IUPAC Name4-(dimethylamino)-1-ethyl-7H-pyrazolo[5,4-d]pyrimidin-6-one
SMILESCCn1ncc2c(N(C)C)nc(=O)[nH]c21
InChIInChI=1S/C9H13N5O/c1-4-14-8-6(5-10-14)7(13(2)3)11-9(15)12-8/h5H,4H2,1-3H3,(H,11,12,15)
InChIKeyJTGXCUSIQLRLBW-UHFFFAOYSA-N
XLogP0.21
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.24
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-1-ethyl-7H-pyrazolo[5,4-d]pyrimidin-6-one?
The IUPAC name of 4-(dimethylamino)-1-ethyl-7H-pyrazolo[5,4-d]pyrimidin-6-one (CID 136593377) is 4-(dimethylamino)-1-ethyl-7H-pyrazolo[5,4-d]pyrimidin-6-one.
What is the SMILES notation for 4-(dimethylamino)-1-ethyl-7H-pyrazolo[5,4-d]pyrimidin-6-one?
The canonical SMILES for 4-(dimethylamino)-1-ethyl-7H-pyrazolo[5,4-d]pyrimidin-6-one is CCn1ncc2c(N(C)C)nc(=O)[nH]c21.
What is the InChIKey of 4-(dimethylamino)-1-ethyl-7H-pyrazolo[5,4-d]pyrimidin-6-one?
The InChIKey is JTGXCUSIQLRLBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5O/c1-4-14-8-6(5-10-14)7(13(2)3)11-9(15)12-8/h5H,4H2,1-3H3,(H,11,12,15).
What are the key properties of 4-(dimethylamino)-1-ethyl-7H-pyrazolo[5,4-d]pyrimidin-6-one?
4-(dimethylamino)-1-ethyl-7H-pyrazolo[5,4-d]pyrimidin-6-one has a molecular weight of 207.24 g/mol, XLogP of 0.21, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-1-ethyl-7H-pyrazolo[5,4-d]pyrimidin-6-one is sourced from PubChem (CID 136593377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).