1-methyl-6-methylidene-7-prop-1-enyl-4H-pyrazolo[4,5-b]pyrazin-5-one

C10H12N4O — CID 123943397

IUPAC1-methyl-6-methylidene-7-prop-1-enyl-4H-pyrazolo[4,5-b]pyrazin-5-one
SMILESC=C1C(=O)Nc2cnn(C)c2N1C=CC
InChIInChI=1S/C10H12N4O/c1-4-5-14-7(2)9(15)12-8-6-11-13(3)10(8)14/h4-6H,2H2,1,3H3,(H,12,15)
InChIKeySACSPDIEZFIODJ-UHFFFAOYSA-N
MW204.23 g/mol
LogP1.23
Rot. Bonds1

About 1-methyl-6-methylidene-7-prop-1-enyl-4H-pyrazolo[4,5-b]pyrazin-5-one

1-methyl-6-methylidene-7-prop-1-enyl-4H-pyrazolo[4,5-b]pyrazin-5-one (PubChem CID 123943397) has the molecular formula C10H12N4O and a molecular weight of 204.23 g/mol. Its IUPAC name is 1-methyl-6-methylidene-7-prop-1-enyl-4H-pyrazolo[4,5-b]pyrazin-5-one.

Molecular Properties

Compound Name1-methyl-6-methylidene-7-prop-1-enyl-4H-pyrazolo[4,5-b]pyrazin-5-one
PubChem CID123943397
Molecular FormulaC10H12N4O
Molecular Weight204.23 g/mol
Exact Mass204.10
IUPAC Name1-methyl-6-methylidene-7-prop-1-enyl-4H-pyrazolo[4,5-b]pyrazin-5-one
SMILESC=C1C(=O)Nc2cnn(C)c2N1C=CC
InChIInChI=1S/C10H12N4O/c1-4-5-14-7(2)9(15)12-8-6-11-13(3)10(8)14/h4-6H,2H2,1,3H3,(H,12,15)
InChIKeySACSPDIEZFIODJ-UHFFFAOYSA-N
XLogP1.23
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-methylidene-7-prop-1-enyl-4H-pyrazolo[4,5-b]pyrazin-5-one?
The IUPAC name of 1-methyl-6-methylidene-7-prop-1-enyl-4H-pyrazolo[4,5-b]pyrazin-5-one (CID 123943397) is 1-methyl-6-methylidene-7-prop-1-enyl-4H-pyrazolo[4,5-b]pyrazin-5-one.
What is the SMILES notation for 1-methyl-6-methylidene-7-prop-1-enyl-4H-pyrazolo[4,5-b]pyrazin-5-one?
The canonical SMILES for 1-methyl-6-methylidene-7-prop-1-enyl-4H-pyrazolo[4,5-b]pyrazin-5-one is C=C1C(=O)Nc2cnn(C)c2N1C=CC.
What is the InChIKey of 1-methyl-6-methylidene-7-prop-1-enyl-4H-pyrazolo[4,5-b]pyrazin-5-one?
The InChIKey is SACSPDIEZFIODJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O/c1-4-5-14-7(2)9(15)12-8-6-11-13(3)10(8)14/h4-6H,2H2,1,3H3,(H,12,15).
What are the key properties of 1-methyl-6-methylidene-7-prop-1-enyl-4H-pyrazolo[4,5-b]pyrazin-5-one?
1-methyl-6-methylidene-7-prop-1-enyl-4H-pyrazolo[4,5-b]pyrazin-5-one has a molecular weight of 204.23 g/mol, XLogP of 1.23, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-methylidene-7-prop-1-enyl-4H-pyrazolo[4,5-b]pyrazin-5-one is sourced from PubChem (CID 123943397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).