7-methyl-1,3,4,5-tetrahydropyrazolo[5,1-b]purin-2-one

C8H9N5O — CID 136656048

IUPAC7-methyl-1,3,4,5-tetrahydropyrazolo[5,1-b]purin-2-one
SMILESCc1cc2n(n1)-c1[nH]c(=O)[nH]c1CN2
InChIInChI=1S/C8H9N5O/c1-4-2-6-9-3-5-7(13(6)12-4)11-8(14)10-5/h2,9H,3H2,1H3,(H2,10,11,14)
InChIKeyVWNGSAIJMPWPHS-UHFFFAOYSA-N
MW191.19 g/mol
LogP0.12
Rot. Bonds

About 7-methyl-1,3,4,5-tetrahydropyrazolo[5,1-b]purin-2-one

7-methyl-1,3,4,5-tetrahydropyrazolo[5,1-b]purin-2-one (PubChem CID 136656048) has the molecular formula C8H9N5O and a molecular weight of 191.19 g/mol. Its IUPAC name is 7-methyl-1,3,4,5-tetrahydropyrazolo[5,1-b]purin-2-one.

Molecular Properties

Compound Name7-methyl-1,3,4,5-tetrahydropyrazolo[5,1-b]purin-2-one
PubChem CID136656048
Molecular FormulaC8H9N5O
Molecular Weight191.19 g/mol
Exact Mass191.08
IUPAC Name7-methyl-1,3,4,5-tetrahydropyrazolo[5,1-b]purin-2-one
SMILESCc1cc2n(n1)-c1[nH]c(=O)[nH]c1CN2
InChIInChI=1S/C8H9N5O/c1-4-2-6-9-3-5-7(13(6)12-4)11-8(14)10-5/h2,9H,3H2,1H3,(H2,10,11,14)
InChIKeyVWNGSAIJMPWPHS-UHFFFAOYSA-N
XLogP0.12
TPSA78.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.19
LogP ≤ 50.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-1,3,4,5-tetrahydropyrazolo[5,1-b]purin-2-one?
The IUPAC name of 7-methyl-1,3,4,5-tetrahydropyrazolo[5,1-b]purin-2-one (CID 136656048) is 7-methyl-1,3,4,5-tetrahydropyrazolo[5,1-b]purin-2-one.
What is the SMILES notation for 7-methyl-1,3,4,5-tetrahydropyrazolo[5,1-b]purin-2-one?
The canonical SMILES for 7-methyl-1,3,4,5-tetrahydropyrazolo[5,1-b]purin-2-one is Cc1cc2n(n1)-c1[nH]c(=O)[nH]c1CN2.
What is the InChIKey of 7-methyl-1,3,4,5-tetrahydropyrazolo[5,1-b]purin-2-one?
The InChIKey is VWNGSAIJMPWPHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N5O/c1-4-2-6-9-3-5-7(13(6)12-4)11-8(14)10-5/h2,9H,3H2,1H3,(H2,10,11,14).
What are the key properties of 7-methyl-1,3,4,5-tetrahydropyrazolo[5,1-b]purin-2-one?
7-methyl-1,3,4,5-tetrahydropyrazolo[5,1-b]purin-2-one has a molecular weight of 191.19 g/mol, XLogP of 0.12, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-1,3,4,5-tetrahydropyrazolo[5,1-b]purin-2-one is sourced from PubChem (CID 136656048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).