1-ethyl-4H-pyrazolo[4,5-d]pyrimidine-5,7-dione

C7H8N4O2 — CID 77174614

IUPAC1-ethyl-4H-pyrazolo[4,5-d]pyrimidine-5,7-dione
SMILESCCn1ncc2[nH]c(=O)[nH]c(=O)c21
InChIInChI=1S/C7H8N4O2/c1-2-11-5-4(3-8-11)9-7(13)10-6(5)12/h3H,2H2,1H3,(H2,9,10,12,13)
InChIKeyPHJMSECYOFFNNM-UHFFFAOYSA-N
MW180.17 g/mol
LogP-0.57
Rot. Bonds1

About 1-ethyl-4H-pyrazolo[4,5-d]pyrimidine-5,7-dione

1-ethyl-4H-pyrazolo[4,5-d]pyrimidine-5,7-dione (PubChem CID 77174614) has the molecular formula C7H8N4O2 and a molecular weight of 180.17 g/mol. Its IUPAC name is 1-ethyl-4H-pyrazolo[4,5-d]pyrimidine-5,7-dione.

Molecular Properties

Compound Name1-ethyl-4H-pyrazolo[4,5-d]pyrimidine-5,7-dione
PubChem CID77174614
Molecular FormulaC7H8N4O2
Molecular Weight180.17 g/mol
Exact Mass180.06
IUPAC Name1-ethyl-4H-pyrazolo[4,5-d]pyrimidine-5,7-dione
SMILESCCn1ncc2[nH]c(=O)[nH]c(=O)c21
InChIInChI=1S/C7H8N4O2/c1-2-11-5-4(3-8-11)9-7(13)10-6(5)12/h3H,2H2,1H3,(H2,9,10,12,13)
InChIKeyPHJMSECYOFFNNM-UHFFFAOYSA-N
XLogP-0.57
TPSA83.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.17
LogP ≤ 5-0.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4H-pyrazolo[4,5-d]pyrimidine-5,7-dione?
The IUPAC name of 1-ethyl-4H-pyrazolo[4,5-d]pyrimidine-5,7-dione (CID 77174614) is 1-ethyl-4H-pyrazolo[4,5-d]pyrimidine-5,7-dione.
What is the SMILES notation for 1-ethyl-4H-pyrazolo[4,5-d]pyrimidine-5,7-dione?
The canonical SMILES for 1-ethyl-4H-pyrazolo[4,5-d]pyrimidine-5,7-dione is CCn1ncc2[nH]c(=O)[nH]c(=O)c21.
What is the InChIKey of 1-ethyl-4H-pyrazolo[4,5-d]pyrimidine-5,7-dione?
The InChIKey is PHJMSECYOFFNNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N4O2/c1-2-11-5-4(3-8-11)9-7(13)10-6(5)12/h3H,2H2,1H3,(H2,9,10,12,13).
What are the key properties of 1-ethyl-4H-pyrazolo[4,5-d]pyrimidine-5,7-dione?
1-ethyl-4H-pyrazolo[4,5-d]pyrimidine-5,7-dione has a molecular weight of 180.17 g/mol, XLogP of -0.57, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4H-pyrazolo[4,5-d]pyrimidine-5,7-dione is sourced from PubChem (CID 77174614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).