6-amino-7-prop-2-enyl-3,5-dihydroimidazo[4,5-c]pyridin-4-one

C9H10N4O — CID 10241618

IUPAC6-amino-7-prop-2-enyl-3,5-dihydroimidazo[4,5-c]pyridin-4-one
SMILESC=CCc1c(N)[nH]c(=O)c2[nH]cnc12
InChIInChI=1S/C9H10N4O/c1-2-3-5-6-7(12-4-11-6)9(14)13-8(5)10/h2,4H,1,3H2,(H,11,12)(H3,10,13,14)
InChIKeyRODRLEDQZBTQSV-UHFFFAOYSA-N
MW190.21 g/mol
LogP0.56
Rot. Bonds2

About 6-amino-7-prop-2-enyl-3,5-dihydroimidazo[4,5-c]pyridin-4-one

6-amino-7-prop-2-enyl-3,5-dihydroimidazo[4,5-c]pyridin-4-one (PubChem CID 10241618) has the molecular formula C9H10N4O and a molecular weight of 190.21 g/mol. Its IUPAC name is 6-amino-7-prop-2-enyl-3,5-dihydroimidazo[4,5-c]pyridin-4-one.

Molecular Properties

Compound Name6-amino-7-prop-2-enyl-3,5-dihydroimidazo[4,5-c]pyridin-4-one
PubChem CID10241618
Molecular FormulaC9H10N4O
Molecular Weight190.21 g/mol
Exact Mass190.09
IUPAC Name6-amino-7-prop-2-enyl-3,5-dihydroimidazo[4,5-c]pyridin-4-one
SMILESC=CCc1c(N)[nH]c(=O)c2[nH]cnc12
InChIInChI=1S/C9H10N4O/c1-2-3-5-6-7(12-4-11-6)9(14)13-8(5)10/h2,4H,1,3H2,(H,11,12)(H3,10,13,14)
InChIKeyRODRLEDQZBTQSV-UHFFFAOYSA-N
XLogP0.56
TPSA87.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.21
LogP ≤ 50.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-amino-7-prop-2-enyl-3,5-dihydroimidazo[4,5-c]pyridin-4-one?
The IUPAC name of 6-amino-7-prop-2-enyl-3,5-dihydroimidazo[4,5-c]pyridin-4-one (CID 10241618) is 6-amino-7-prop-2-enyl-3,5-dihydroimidazo[4,5-c]pyridin-4-one.
What is the SMILES notation for 6-amino-7-prop-2-enyl-3,5-dihydroimidazo[4,5-c]pyridin-4-one?
The canonical SMILES for 6-amino-7-prop-2-enyl-3,5-dihydroimidazo[4,5-c]pyridin-4-one is C=CCc1c(N)[nH]c(=O)c2[nH]cnc12.
What is the InChIKey of 6-amino-7-prop-2-enyl-3,5-dihydroimidazo[4,5-c]pyridin-4-one?
The InChIKey is RODRLEDQZBTQSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O/c1-2-3-5-6-7(12-4-11-6)9(14)13-8(5)10/h2,4H,1,3H2,(H,11,12)(H3,10,13,14).
What are the key properties of 6-amino-7-prop-2-enyl-3,5-dihydroimidazo[4,5-c]pyridin-4-one?
6-amino-7-prop-2-enyl-3,5-dihydroimidazo[4,5-c]pyridin-4-one has a molecular weight of 190.21 g/mol, XLogP of 0.56, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-7-prop-2-enyl-3,5-dihydroimidazo[4,5-c]pyridin-4-one is sourced from PubChem (CID 10241618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).