3-amino-6-[[3-(hydroxymethyl)phenyl]methyl]pyrazine-2-carboxamide

C13H14N4O2 — CID 68823954

IUPAC3-amino-6-[[3-(hydroxymethyl)phenyl]methyl]pyrazine-2-carboxamide
SMILESNC(=O)c1nc(Cc2cccc(CO)c2)cnc1N
InChIInChI=1S/C13H14N4O2/c14-12-11(13(15)19)17-10(6-16-12)5-8-2-1-3-9(4-8)7-18/h1-4,6,18H,5,7H2,(H2,14,16)(H2,15,19)
InChIKeyLABGRZCVOQFARL-UHFFFAOYSA-N
MW258.28 g/mol
LogP0.24
Rot. Bonds4

About 3-amino-6-[[3-(hydroxymethyl)phenyl]methyl]pyrazine-2-carboxamide

3-amino-6-[[3-(hydroxymethyl)phenyl]methyl]pyrazine-2-carboxamide (PubChem CID 68823954) has the molecular formula C13H14N4O2 and a molecular weight of 258.28 g/mol. Its IUPAC name is 3-amino-6-[[3-(hydroxymethyl)phenyl]methyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-6-[[3-(hydroxymethyl)phenyl]methyl]pyrazine-2-carboxamide
PubChem CID68823954
Molecular FormulaC13H14N4O2
Molecular Weight258.28 g/mol
Exact Mass258.11
IUPAC Name3-amino-6-[[3-(hydroxymethyl)phenyl]methyl]pyrazine-2-carboxamide
SMILESNC(=O)c1nc(Cc2cccc(CO)c2)cnc1N
InChIInChI=1S/C13H14N4O2/c14-12-11(13(15)19)17-10(6-16-12)5-8-2-1-3-9(4-8)7-18/h1-4,6,18H,5,7H2,(H2,14,16)(H2,15,19)
InChIKeyLABGRZCVOQFARL-UHFFFAOYSA-N
XLogP0.24
TPSA115.12 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 50.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-6-[[3-(hydroxymethyl)phenyl]methyl]pyrazine-2-carboxamide?
The IUPAC name of 3-amino-6-[[3-(hydroxymethyl)phenyl]methyl]pyrazine-2-carboxamide (CID 68823954) is 3-amino-6-[[3-(hydroxymethyl)phenyl]methyl]pyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-6-[[3-(hydroxymethyl)phenyl]methyl]pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-6-[[3-(hydroxymethyl)phenyl]methyl]pyrazine-2-carboxamide is NC(=O)c1nc(Cc2cccc(CO)c2)cnc1N.
What is the InChIKey of 3-amino-6-[[3-(hydroxymethyl)phenyl]methyl]pyrazine-2-carboxamide?
The InChIKey is LABGRZCVOQFARL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O2/c14-12-11(13(15)19)17-10(6-16-12)5-8-2-1-3-9(4-8)7-18/h1-4,6,18H,5,7H2,(H2,14,16)(H2,15,19).
What are the key properties of 3-amino-6-[[3-(hydroxymethyl)phenyl]methyl]pyrazine-2-carboxamide?
3-amino-6-[[3-(hydroxymethyl)phenyl]methyl]pyrazine-2-carboxamide has a molecular weight of 258.28 g/mol, XLogP of 0.24, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-[[3-(hydroxymethyl)phenyl]methyl]pyrazine-2-carboxamide is sourced from PubChem (CID 68823954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).