2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-N'-hydroxy-5-methylbenzenecarboximidamide

C14H17N5O — CID 107929913

IUPAC2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-N'-hydroxy-5-methylbenzenecarboximidamide
SMILESCc1ccc(N2CCn3ccnc3C2)c(/C(N)=N/O)c1
InChIInChI=1S/C14H17N5O/c1-10-2-3-12(11(8-10)14(15)17-20)19-7-6-18-5-4-16-13(18)9-19/h2-5,8,20H,6-7,9H2,1H3,(H2,15,17)
InChIKeyGDYOBCAMZFTQGQ-UHFFFAOYSA-N
MW271.32 g/mol
LogP1.31
Rot. Bonds2

About 2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-N'-hydroxy-5-methylbenzenecarboximidamide

2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-N'-hydroxy-5-methylbenzenecarboximidamide (PubChem CID 107929913) has the molecular formula C14H17N5O and a molecular weight of 271.32 g/mol. Its IUPAC name is 2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-N'-hydroxy-5-methylbenzenecarboximidamide.

Molecular Properties

Compound Name2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-N'-hydroxy-5-methylbenzenecarboximidamide
PubChem CID107929913
Molecular FormulaC14H17N5O
Molecular Weight271.32 g/mol
Exact Mass271.14
IUPAC Name2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-N'-hydroxy-5-methylbenzenecarboximidamide
SMILESCc1ccc(N2CCn3ccnc3C2)c(/C(N)=N/O)c1
InChIInChI=1S/C14H17N5O/c1-10-2-3-12(11(8-10)14(15)17-20)19-7-6-18-5-4-16-13(18)9-19/h2-5,8,20H,6-7,9H2,1H3,(H2,15,17)
InChIKeyGDYOBCAMZFTQGQ-UHFFFAOYSA-N
XLogP1.31
TPSA79.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-N'-hydroxy-5-methylbenzenecarboximidamide?
The IUPAC name of 2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-N'-hydroxy-5-methylbenzenecarboximidamide (CID 107929913) is 2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-N'-hydroxy-5-methylbenzenecarboximidamide.
What is the SMILES notation for 2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-N'-hydroxy-5-methylbenzenecarboximidamide?
The canonical SMILES for 2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-N'-hydroxy-5-methylbenzenecarboximidamide is Cc1ccc(N2CCn3ccnc3C2)c(/C(N)=N/O)c1.
What is the InChIKey of 2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-N'-hydroxy-5-methylbenzenecarboximidamide?
The InChIKey is GDYOBCAMZFTQGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O/c1-10-2-3-12(11(8-10)14(15)17-20)19-7-6-18-5-4-16-13(18)9-19/h2-5,8,20H,6-7,9H2,1H3,(H2,15,17).
What are the key properties of 2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-N'-hydroxy-5-methylbenzenecarboximidamide?
2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-N'-hydroxy-5-methylbenzenecarboximidamide has a molecular weight of 271.32 g/mol, XLogP of 1.31, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-N'-hydroxy-5-methylbenzenecarboximidamide is sourced from PubChem (CID 107929913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).