5-(6-ethoxypyrimidin-4-yl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole

C11H13N5O — CID 122154069

IUPAC5-(6-ethoxypyrimidin-4-yl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole
SMILESCCOc1cc(N2Cc3cn[nH]c3C2)ncn1
InChIInChI=1S/C11H13N5O/c1-2-17-11-3-10(12-7-13-11)16-5-8-4-14-15-9(8)6-16/h3-4,7H,2,5-6H2,1H3,(H,14,15)
InChIKeyHKBWZPSNMJBHMT-UHFFFAOYSA-N
MW231.26 g/mol
LogP1.12
Rot. Bonds3

About 5-(6-ethoxypyrimidin-4-yl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole

5-(6-ethoxypyrimidin-4-yl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole (PubChem CID 122154069) has the molecular formula C11H13N5O and a molecular weight of 231.26 g/mol. Its IUPAC name is 5-(6-ethoxypyrimidin-4-yl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole.

Molecular Properties

Compound Name5-(6-ethoxypyrimidin-4-yl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole
PubChem CID122154069
Molecular FormulaC11H13N5O
Molecular Weight231.26 g/mol
Exact Mass231.11
IUPAC Name5-(6-ethoxypyrimidin-4-yl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole
SMILESCCOc1cc(N2Cc3cn[nH]c3C2)ncn1
InChIInChI=1S/C11H13N5O/c1-2-17-11-3-10(12-7-13-11)16-5-8-4-14-15-9(8)6-16/h3-4,7H,2,5-6H2,1H3,(H,14,15)
InChIKeyHKBWZPSNMJBHMT-UHFFFAOYSA-N
XLogP1.12
TPSA66.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.26
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-(6-ethoxypyrimidin-4-yl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(6-ethoxypyrimidin-4-yl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole?
The IUPAC name of 5-(6-ethoxypyrimidin-4-yl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole (CID 122154069) is 5-(6-ethoxypyrimidin-4-yl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole.
What is the SMILES notation for 5-(6-ethoxypyrimidin-4-yl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole?
The canonical SMILES for 5-(6-ethoxypyrimidin-4-yl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole is CCOc1cc(N2Cc3cn[nH]c3C2)ncn1.
What is the InChIKey of 5-(6-ethoxypyrimidin-4-yl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole?
The InChIKey is HKBWZPSNMJBHMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O/c1-2-17-11-3-10(12-7-13-11)16-5-8-4-14-15-9(8)6-16/h3-4,7H,2,5-6H2,1H3,(H,14,15).
What are the key properties of 5-(6-ethoxypyrimidin-4-yl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole?
5-(6-ethoxypyrimidin-4-yl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole has a molecular weight of 231.26 g/mol, XLogP of 1.12, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-ethoxypyrimidin-4-yl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole is sourced from PubChem (CID 122154069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).