4-amino-3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)benzamide

C13H15N5O — CID 63356456

IUPAC4-amino-3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)benzamide
SMILESNC(=O)c1ccc(N)c(N2CCn3ccnc3C2)c1
InChIInChI=1S/C13H15N5O/c14-10-2-1-9(13(15)19)7-11(10)18-6-5-17-4-3-16-12(17)8-18/h1-4,7H,5-6,8,14H2,(H2,15,19)
InChIKeyHSKYOQOASUDROZ-UHFFFAOYSA-N
MW257.30 g/mol
LogP0.58
Rot. Bonds2

About 4-amino-3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)benzamide

4-amino-3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)benzamide (PubChem CID 63356456) has the molecular formula C13H15N5O and a molecular weight of 257.30 g/mol. Its IUPAC name is 4-amino-3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)benzamide.

Molecular Properties

Compound Name4-amino-3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)benzamide
PubChem CID63356456
Molecular FormulaC13H15N5O
Molecular Weight257.30 g/mol
Exact Mass257.13
IUPAC Name4-amino-3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)benzamide
SMILESNC(=O)c1ccc(N)c(N2CCn3ccnc3C2)c1
InChIInChI=1S/C13H15N5O/c14-10-2-1-9(13(15)19)7-11(10)18-6-5-17-4-3-16-12(17)8-18/h1-4,7H,5-6,8,14H2,(H2,15,19)
InChIKeyHSKYOQOASUDROZ-UHFFFAOYSA-N
XLogP0.58
TPSA90.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.30
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)phenyl]ethanone
CID 63013626
4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)benzenecarbothioamide
CID 63024905
4-amino-3-pyrrolidin-1-ylbenzamide
CID 63355693
4-amino-3-(4-methylpiperazin-1-yl)benzamide
CID 55189987
3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)aniline
CID 63015338
5-bromo-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-4-fluoroaniline
CID 66111141
4-amino-3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-methylbenzamide
CID 64575387
2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-N'-hydroxy-4-methylbenzenecarboximidamide
CID 76982046
2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-N'-hydroxy-5-methylbenzenecarboximidamide
CID 107929913
2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-4-methoxybenzenecarbothioamide
CID 81305584
5-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)furan-2-carboxylic acid
CID 63024947
4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-5-fluoro-2-methoxyaniline
CID 107259216

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)benzamide?
The IUPAC name of 4-amino-3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)benzamide (CID 63356456) is 4-amino-3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)benzamide.
What is the SMILES notation for 4-amino-3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)benzamide?
The canonical SMILES for 4-amino-3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)benzamide is NC(=O)c1ccc(N)c(N2CCn3ccnc3C2)c1.
What is the InChIKey of 4-amino-3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)benzamide?
The InChIKey is HSKYOQOASUDROZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O/c14-10-2-1-9(13(15)19)7-11(10)18-6-5-17-4-3-16-12(17)8-18/h1-4,7H,5-6,8,14H2,(H2,15,19).
What are the key properties of 4-amino-3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)benzamide?
4-amino-3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)benzamide has a molecular weight of 257.30 g/mol, XLogP of 0.58, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)benzamide is sourced from PubChem (CID 63356456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).