3-butoxypyrazine-2-carboximidamide

C9H14N4O — CID 62685425

IUPAC3-butoxypyrazine-2-carboximidamide
SMILES[H]/N=C(\N)c1nccnc1OCCCC
InChIInChI=1S/C9H14N4O/c1-2-3-6-14-9-7(8(10)11)12-4-5-13-9/h4-5H,2-3,6H2,1H3,(H3,10,11)
InChIKeyQCNOFDBGMUMJKT-UHFFFAOYSA-N
MW194.24 g/mol
LogP0.94
Rot. Bonds5

About 3-butoxypyrazine-2-carboximidamide

3-butoxypyrazine-2-carboximidamide (PubChem CID 62685425) has the molecular formula C9H14N4O and a molecular weight of 194.24 g/mol. Its IUPAC name is 3-butoxypyrazine-2-carboximidamide.

Molecular Properties

Compound Name3-butoxypyrazine-2-carboximidamide
PubChem CID62685425
Molecular FormulaC9H14N4O
Molecular Weight194.24 g/mol
Exact Mass194.12
IUPAC Name3-butoxypyrazine-2-carboximidamide
SMILES[H]/N=C(\N)c1nccnc1OCCCC
InChIInChI=1S/C9H14N4O/c1-2-3-6-14-9-7(8(10)11)12-4-5-13-9/h4-5H,2-3,6H2,1H3,(H3,10,11)
InChIKeyQCNOFDBGMUMJKT-UHFFFAOYSA-N
XLogP0.94
TPSA84.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.24
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

3-ethoxypyrazine-2-carboximidamide
CID 62685584
3-(4,4,4-trifluorobutoxy)pyrazine-2-carboximidamide
CID 82788951
3-(2-phenoxyethoxy)pyrazine-2-carboximidamide
CID 62684730
3-pentan-2-yloxypyrazine-2-carboximidamide
CID 102982106
2-hexoxypyridine-3-carboximidamide
CID 29002899
3-[butyl(methyl)amino]pyrazine-2-carboximidamide
CID 62684705
3-pentylsulfanylpyrazine-2-carboximidamide
CID 107750030
3-propoxypyrazine-2-carbothioamide
CID 62683968
3-chloro-2-octoxypyridine-4-carboximidamide
CID 107060534
3-(3-ethoxyphenoxy)pyrazine-2-carboximidamide
CID 62684399
3-(3,5-dimethylphenoxy)pyrazine-2-carboximidamide
CID 62683368
3-(hexoxymethyl)pyridine-2-carboximidamide
CID 62895257

Frequently Asked Questions

What is the IUPAC name of 3-butoxypyrazine-2-carboximidamide?
The IUPAC name of 3-butoxypyrazine-2-carboximidamide (CID 62685425) is 3-butoxypyrazine-2-carboximidamide.
What is the SMILES notation for 3-butoxypyrazine-2-carboximidamide?
The canonical SMILES for 3-butoxypyrazine-2-carboximidamide is [H]/N=C(\N)c1nccnc1OCCCC.
What is the InChIKey of 3-butoxypyrazine-2-carboximidamide?
The InChIKey is QCNOFDBGMUMJKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O/c1-2-3-6-14-9-7(8(10)11)12-4-5-13-9/h4-5H,2-3,6H2,1H3,(H3,10,11).
What are the key properties of 3-butoxypyrazine-2-carboximidamide?
3-butoxypyrazine-2-carboximidamide has a molecular weight of 194.24 g/mol, XLogP of 0.94, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butoxypyrazine-2-carboximidamide is sourced from PubChem (CID 62685425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).