3-amino-5-methoxypyrazine-2-carbaldehyde;methanol

C7H11N3O3 — CID 176552920

IUPAC3-amino-5-methoxypyrazine-2-carbaldehyde;methanol
SMILESCO.COc1cnc(C=O)c(N)n1
InChIInChI=1S/C6H7N3O2.CH4O/c1-11-5-2-8-4(3-10)6(7)9-5;1-2/h2-3H,1H3,(H2,7,9);2H,1H3
InChIKeyXHGUKUSEBKSJLV-UHFFFAOYSA-N
MW185.18 g/mol
LogP-0.51
Rot. Bonds2

About 3-amino-5-methoxypyrazine-2-carbaldehyde;methanol

3-amino-5-methoxypyrazine-2-carbaldehyde;methanol (PubChem CID 176552920) has the molecular formula C7H11N3O3 and a molecular weight of 185.18 g/mol. Its IUPAC name is 3-amino-5-methoxypyrazine-2-carbaldehyde;methanol.

Molecular Properties

Compound Name3-amino-5-methoxypyrazine-2-carbaldehyde;methanol
PubChem CID176552920
Molecular FormulaC7H11N3O3
Molecular Weight185.18 g/mol
Exact Mass185.08
IUPAC Name3-amino-5-methoxypyrazine-2-carbaldehyde;methanol
SMILESCO.COc1cnc(C=O)c(N)n1
InChIInChI=1S/C6H7N3O2.CH4O/c1-11-5-2-8-4(3-10)6(7)9-5;1-2/h2-3H,1H3,(H2,7,9);2H,1H3
InChIKeyXHGUKUSEBKSJLV-UHFFFAOYSA-N
XLogP-0.51
TPSA98.33 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.18
LogP ≤ 5-0.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-(3-amino-5-methoxypyrazin-2-yl)prop-2-enoic acid
CID 68928398
3,6-dimethoxypyrazin-2-amine
CID 45122049
3-chloro-6-methoxypyrazin-2-amine
CID 11701087
3-chloro-6-methoxypyrazin-2-amine;ethyl (E)-3-(3-amino-5-methoxypyrazin-2-yl)prop-2-enoate
CID 157496465
5-bromo-3-methoxypyrazine-2-carbaldehyde
CID 139415839
3,5-bis[(2-methylpropan-2-yl)oxy]pyrazine-2-carbaldehyde
CID 86040616
3-bromo-5-methoxypyridine-2-carbaldehyde
CID 83886920
2-amino-6-methoxypyridine-4-carbaldehyde
CID 151775259
3-chloro-5-[(2-methylpropan-2-yl)oxy]pyrazine-2-carbaldehyde
CID 22247869
5-iodo-3-methoxypyridine-2-carbaldehyde
CID 130880961
CID 156813524
CID 156813524
5-amino-2-propan-2-ylpyrimidine-4-carbaldehyde
CID 84764914

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-methoxypyrazine-2-carbaldehyde;methanol?
The IUPAC name of 3-amino-5-methoxypyrazine-2-carbaldehyde;methanol (CID 176552920) is 3-amino-5-methoxypyrazine-2-carbaldehyde;methanol.
What is the SMILES notation for 3-amino-5-methoxypyrazine-2-carbaldehyde;methanol?
The canonical SMILES for 3-amino-5-methoxypyrazine-2-carbaldehyde;methanol is CO.COc1cnc(C=O)c(N)n1.
What is the InChIKey of 3-amino-5-methoxypyrazine-2-carbaldehyde;methanol?
The InChIKey is XHGUKUSEBKSJLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N3O2.CH4O/c1-11-5-2-8-4(3-10)6(7)9-5;1-2/h2-3H,1H3,(H2,7,9);2H,1H3.
What are the key properties of 3-amino-5-methoxypyrazine-2-carbaldehyde;methanol?
3-amino-5-methoxypyrazine-2-carbaldehyde;methanol has a molecular weight of 185.18 g/mol, XLogP of -0.51, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-methoxypyrazine-2-carbaldehyde;methanol is sourced from PubChem (CID 176552920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).