3-amino-6-[(4-hydroxyphenyl)methyl]pyrazine-2-carboxamide

C12H12N4O2 — CID 90893973

IUPAC3-amino-6-[(4-hydroxyphenyl)methyl]pyrazine-2-carboxamide
SMILESNC(=O)c1nc(Cc2ccc(O)cc2)cnc1N
InChIInChI=1S/C12H12N4O2/c13-11-10(12(14)18)16-8(6-15-11)5-7-1-3-9(17)4-2-7/h1-4,6,17H,5H2,(H2,13,15)(H2,14,18)
InChIKeyKCAWIIBRBFMOMG-UHFFFAOYSA-N
MW244.25 g/mol
LogP0.45
Rot. Bonds3

About 3-amino-6-[(4-hydroxyphenyl)methyl]pyrazine-2-carboxamide

3-amino-6-[(4-hydroxyphenyl)methyl]pyrazine-2-carboxamide (PubChem CID 90893973) has the molecular formula C12H12N4O2 and a molecular weight of 244.25 g/mol. Its IUPAC name is 3-amino-6-[(4-hydroxyphenyl)methyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-6-[(4-hydroxyphenyl)methyl]pyrazine-2-carboxamide
PubChem CID90893973
Molecular FormulaC12H12N4O2
Molecular Weight244.25 g/mol
Exact Mass244.10
IUPAC Name3-amino-6-[(4-hydroxyphenyl)methyl]pyrazine-2-carboxamide
SMILESNC(=O)c1nc(Cc2ccc(O)cc2)cnc1N
InChIInChI=1S/C12H12N4O2/c13-11-10(12(14)18)16-8(6-15-11)5-7-1-3-9(17)4-2-7/h1-4,6,17H,5H2,(H2,13,15)(H2,14,18)
InChIKeyKCAWIIBRBFMOMG-UHFFFAOYSA-N
XLogP0.45
TPSA115.12 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 50.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-6-[(4-hydroxyphenyl)methyl]pyrazine-2-carboxamide?
The IUPAC name of 3-amino-6-[(4-hydroxyphenyl)methyl]pyrazine-2-carboxamide (CID 90893973) is 3-amino-6-[(4-hydroxyphenyl)methyl]pyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-6-[(4-hydroxyphenyl)methyl]pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-6-[(4-hydroxyphenyl)methyl]pyrazine-2-carboxamide is NC(=O)c1nc(Cc2ccc(O)cc2)cnc1N.
What is the InChIKey of 3-amino-6-[(4-hydroxyphenyl)methyl]pyrazine-2-carboxamide?
The InChIKey is KCAWIIBRBFMOMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O2/c13-11-10(12(14)18)16-8(6-15-11)5-7-1-3-9(17)4-2-7/h1-4,6,17H,5H2,(H2,13,15)(H2,14,18).
What are the key properties of 3-amino-6-[(4-hydroxyphenyl)methyl]pyrazine-2-carboxamide?
3-amino-6-[(4-hydroxyphenyl)methyl]pyrazine-2-carboxamide has a molecular weight of 244.25 g/mol, XLogP of 0.45, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-[(4-hydroxyphenyl)methyl]pyrazine-2-carboxamide is sourced from PubChem (CID 90893973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).