3-(3-propan-2-ylphenoxy)pyrazine-2-carboximidamide

C14H16N4O — CID 62683543

IUPAC3-(3-propan-2-ylphenoxy)pyrazine-2-carboximidamide
SMILES[H]/N=C(\N)c1nccnc1Oc1cccc(C(C)C)c1
InChIInChI=1S/C14H16N4O/c1-9(2)10-4-3-5-11(8-10)19-14-12(13(15)16)17-6-7-18-14/h3-9H,1-2H3,(H3,15,16)
InChIKeyYOTOCIVDDCUXQZ-UHFFFAOYSA-N
MW256.31 g/mol
LogP2.68
Rot. Bonds4

About 3-(3-propan-2-ylphenoxy)pyrazine-2-carboximidamide

3-(3-propan-2-ylphenoxy)pyrazine-2-carboximidamide (PubChem CID 62683543) has the molecular formula C14H16N4O and a molecular weight of 256.31 g/mol. Its IUPAC name is 3-(3-propan-2-ylphenoxy)pyrazine-2-carboximidamide.

Molecular Properties

Compound Name3-(3-propan-2-ylphenoxy)pyrazine-2-carboximidamide
PubChem CID62683543
Molecular FormulaC14H16N4O
Molecular Weight256.31 g/mol
Exact Mass256.13
IUPAC Name3-(3-propan-2-ylphenoxy)pyrazine-2-carboximidamide
SMILES[H]/N=C(\N)c1nccnc1Oc1cccc(C(C)C)c1
InChIInChI=1S/C14H16N4O/c1-9(2)10-4-3-5-11(8-10)19-14-12(13(15)16)17-6-7-18-14/h3-9H,1-2H3,(H3,15,16)
InChIKeyYOTOCIVDDCUXQZ-UHFFFAOYSA-N
XLogP2.68
TPSA84.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(3-ethoxyphenoxy)pyrazine-2-carboximidamide
CID 62684399
3-phenoxypyrazine-2-carboximidamide
CID 62683537
3-(3-propan-2-ylphenoxy)pyridazine-4-carboximidamide
CID 80514169
4-(3-propan-2-ylphenoxy)pyridine-2-carboximidamide
CID 62926157
3-(3,5-dimethylphenoxy)pyrazine-2-carboximidamide
CID 62683368
4-methyl-2-(3-propan-2-ylphenoxy)benzenecarboximidamide
CID 62308166
4-[(3-propan-2-ylphenoxy)methyl]pyridine-2-carboximidamide
CID 63882440
3-quinolin-5-yloxypyrazine-2-carboximidamide
CID 103044881
3-(4-chloro-2-methyl-5-propan-2-ylphenoxy)pyrazine-2-carboximidamide
CID 62684568
3-[(3-methoxyphenyl)methoxy]pyrazine-2-carboximidamide
CID 62685242
1-ethanimidoyl-1-[5-methyl-6-(3-propan-2-ylphenoxy)-3-pyridinyl]urea
CID 123245003
3-(2-phenoxyethoxy)pyrazine-2-carboximidamide
CID 62684730

Frequently Asked Questions

What is the IUPAC name of 3-(3-propan-2-ylphenoxy)pyrazine-2-carboximidamide?
The IUPAC name of 3-(3-propan-2-ylphenoxy)pyrazine-2-carboximidamide (CID 62683543) is 3-(3-propan-2-ylphenoxy)pyrazine-2-carboximidamide.
What is the SMILES notation for 3-(3-propan-2-ylphenoxy)pyrazine-2-carboximidamide?
The canonical SMILES for 3-(3-propan-2-ylphenoxy)pyrazine-2-carboximidamide is [H]/N=C(\N)c1nccnc1Oc1cccc(C(C)C)c1.
What is the InChIKey of 3-(3-propan-2-ylphenoxy)pyrazine-2-carboximidamide?
The InChIKey is YOTOCIVDDCUXQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O/c1-9(2)10-4-3-5-11(8-10)19-14-12(13(15)16)17-6-7-18-14/h3-9H,1-2H3,(H3,15,16).
What are the key properties of 3-(3-propan-2-ylphenoxy)pyrazine-2-carboximidamide?
3-(3-propan-2-ylphenoxy)pyrazine-2-carboximidamide has a molecular weight of 256.31 g/mol, XLogP of 2.68, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-propan-2-ylphenoxy)pyrazine-2-carboximidamide is sourced from PubChem (CID 62683543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).