6-amino-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one;ethane

C10H19N5O — CID 142426508

IUPAC6-amino-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one;ethane
SMILESCC.CC.Cn1ncc2c(=O)[nH]c(N)nc21
InChIInChI=1S/C6H7N5O.2C2H6/c1-11-4-3(2-8-11)5(12)10-6(7)9-4;2*1-2/h2H,1H3,(H3,7,9,10,12);2*1-2H3
InChIKeyHBTKLJWXVKVACC-UHFFFAOYSA-N
MW225.30 g/mol
LogP1.29
Rot. Bonds

About 6-amino-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one;ethane

6-amino-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one;ethane (PubChem CID 142426508) has the molecular formula C10H19N5O and a molecular weight of 225.30 g/mol. Its IUPAC name is 6-amino-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one;ethane.

Molecular Properties

Compound Name6-amino-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one;ethane
PubChem CID142426508
Molecular FormulaC10H19N5O
Molecular Weight225.30 g/mol
Exact Mass225.16
IUPAC Name6-amino-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one;ethane
SMILESCC.CC.Cn1ncc2c(=O)[nH]c(N)nc21
InChIInChI=1S/C6H7N5O.2C2H6/c1-11-4-3(2-8-11)5(12)10-6(7)9-4;2*1-2/h2H,1H3,(H3,7,9,10,12);2*1-2H3
InChIKeyHBTKLJWXVKVACC-UHFFFAOYSA-N
XLogP1.29
TPSA89.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.30
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-amino-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one;ethane?
The IUPAC name of 6-amino-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one;ethane (CID 142426508) is 6-amino-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one;ethane.
What is the SMILES notation for 6-amino-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one;ethane?
The canonical SMILES for 6-amino-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one;ethane is CC.CC.Cn1ncc2c(=O)[nH]c(N)nc21.
What is the InChIKey of 6-amino-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one;ethane?
The InChIKey is HBTKLJWXVKVACC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N5O.2C2H6/c1-11-4-3(2-8-11)5(12)10-6(7)9-4;2*1-2/h2H,1H3,(H3,7,9,10,12);2*1-2H3.
What are the key properties of 6-amino-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one;ethane?
6-amino-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one;ethane has a molecular weight of 225.30 g/mol, XLogP of 1.29, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one;ethane is sourced from PubChem (CID 142426508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).