3-[(5-aminopyrazin-2-yl)amino]benzamide

C11H11N5O — CID 114003795

IUPAC3-[(5-aminopyrazin-2-yl)amino]benzamide
SMILESNC(=O)c1cccc(Nc2cnc(N)cn2)c1
InChIInChI=1S/C11H11N5O/c12-9-5-15-10(6-14-9)16-8-3-1-2-7(4-8)11(13)17/h1-6H,(H2,12,14)(H2,13,17)(H,15,16)
InChIKeyATQCDTIZYHJTIN-UHFFFAOYSA-N
MW229.24 g/mol
LogP0.90
Rot. Bonds3

About 3-[(5-aminopyrazin-2-yl)amino]benzamide

3-[(5-aminopyrazin-2-yl)amino]benzamide (PubChem CID 114003795) has the molecular formula C11H11N5O and a molecular weight of 229.24 g/mol. Its IUPAC name is 3-[(5-aminopyrazin-2-yl)amino]benzamide.

Molecular Properties

Compound Name3-[(5-aminopyrazin-2-yl)amino]benzamide
PubChem CID114003795
Molecular FormulaC11H11N5O
Molecular Weight229.24 g/mol
Exact Mass229.10
IUPAC Name3-[(5-aminopyrazin-2-yl)amino]benzamide
SMILESNC(=O)c1cccc(Nc2cnc(N)cn2)c1
InChIInChI=1S/C11H11N5O/c12-9-5-15-10(6-14-9)16-8-3-1-2-7(4-8)11(13)17/h1-6H,(H2,12,14)(H2,13,17)(H,15,16)
InChIKeyATQCDTIZYHJTIN-UHFFFAOYSA-N
XLogP0.90
TPSA106.92 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.24
LogP ≤ 50.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-N-phenylpyrazine-2,5-diamine
CID 80652109
3-[(4-aminopyrimidin-2-yl)amino]benzamide
CID 107811877
3-[[6-[3-(trifluoromethyl)anilino]pyrimidin-4-yl]amino]benzamide
CID 68969983
3-[(6-cyano-2-pyridinyl)amino]benzamide
CID 107811342
3-[(6-methylsulfanyl-2-pyridinyl)amino]benzamide
CID 171387328
3-[(5-bromo-6-methyl-2-pyridinyl)amino]benzamide
CID 114047764
3-[[4-(3-amino-1H-indazol-5-yl)-2-pyridinyl]amino]benzamide
CID 172571056
3-[[3-(ethylcarbamoylamino)isoquinolin-8-yl]amino]benzamide
CID 67450696
3-(methylamino)benzamide
CID 18727714
3-hydrazinylbenzamide;hydrochloride
CID 90487444
2-amino-3-(3-carbamoylanilino)benzoic acid
CID 107809791
2-N-(4-bromo-3-methylphenyl)pyrazine-2,5-diamine
CID 80652758

Frequently Asked Questions

What is the IUPAC name of 3-[(5-aminopyrazin-2-yl)amino]benzamide?
The IUPAC name of 3-[(5-aminopyrazin-2-yl)amino]benzamide (CID 114003795) is 3-[(5-aminopyrazin-2-yl)amino]benzamide.
What is the SMILES notation for 3-[(5-aminopyrazin-2-yl)amino]benzamide?
The canonical SMILES for 3-[(5-aminopyrazin-2-yl)amino]benzamide is NC(=O)c1cccc(Nc2cnc(N)cn2)c1.
What is the InChIKey of 3-[(5-aminopyrazin-2-yl)amino]benzamide?
The InChIKey is ATQCDTIZYHJTIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N5O/c12-9-5-15-10(6-14-9)16-8-3-1-2-7(4-8)11(13)17/h1-6H,(H2,12,14)(H2,13,17)(H,15,16).
What are the key properties of 3-[(5-aminopyrazin-2-yl)amino]benzamide?
3-[(5-aminopyrazin-2-yl)amino]benzamide has a molecular weight of 229.24 g/mol, XLogP of 0.90, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-aminopyrazin-2-yl)amino]benzamide is sourced from PubChem (CID 114003795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).