1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)naphthalen-2-ol

C17H17N3O — CID 78997262

IUPAC1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)naphthalen-2-ol
SMILESOc1ccc2ccccc2c1CN1CCn2ccnc2C1
InChIInChI=1S/C17H17N3O/c21-16-6-5-13-3-1-2-4-14(13)15(16)11-19-9-10-20-8-7-18-17(20)12-19/h1-8,21H,9-12H2
InChIKeyDDJXCZNIANLISZ-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.76
Rot. Bonds2

About 1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)naphthalen-2-ol

1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)naphthalen-2-ol (PubChem CID 78997262) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is 1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)naphthalen-2-ol.

Molecular Properties

Compound Name1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)naphthalen-2-ol
PubChem CID78997262
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC Name1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)naphthalen-2-ol
SMILESOc1ccc2ccccc2c1CN1CCn2ccnc2C1
InChIInChI=1S/C17H17N3O/c21-16-6-5-13-3-1-2-4-14(13)15(16)11-19-9-10-20-8-7-18-17(20)12-19/h1-8,21H,9-12H2
InChIKeyDDJXCZNIANLISZ-UHFFFAOYSA-N
XLogP2.76
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)naphthalen-2-ol?
The IUPAC name of 1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)naphthalen-2-ol (CID 78997262) is 1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)naphthalen-2-ol.
What is the SMILES notation for 1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)naphthalen-2-ol?
The canonical SMILES for 1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)naphthalen-2-ol is Oc1ccc2ccccc2c1CN1CCn2ccnc2C1.
What is the InChIKey of 1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)naphthalen-2-ol?
The InChIKey is DDJXCZNIANLISZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O/c21-16-6-5-13-3-1-2-4-14(13)15(16)11-19-9-10-20-8-7-18-17(20)12-19/h1-8,21H,9-12H2.
What are the key properties of 1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)naphthalen-2-ol?
1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)naphthalen-2-ol has a molecular weight of 279.34 g/mol, XLogP of 2.76, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)naphthalen-2-ol is sourced from PubChem (CID 78997262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).