2-[(3-pyrazin-2-yloxyphenyl)methylideneamino]guanidine

C12H12N6O — CID 168591514

IUPAC2-[(3-pyrazin-2-yloxyphenyl)methylideneamino]guanidine
SMILESNC(N)=NN=Cc1cccc(Oc2cnccn2)c1
InChIInChI=1S/C12H12N6O/c13-12(14)18-17-7-9-2-1-3-10(6-9)19-11-8-15-4-5-16-11/h1-8H,(H4,13,14,18)
InChIKeyFHPLMYGWLBQBLS-UHFFFAOYSA-N
MW256.27 g/mol
LogP0.88
Rot. Bonds4

About 2-[(3-pyrazin-2-yloxyphenyl)methylideneamino]guanidine

2-[(3-pyrazin-2-yloxyphenyl)methylideneamino]guanidine (PubChem CID 168591514) has the molecular formula C12H12N6O and a molecular weight of 256.27 g/mol. Its IUPAC name is 2-[(3-pyrazin-2-yloxyphenyl)methylideneamino]guanidine.

Molecular Properties

Compound Name2-[(3-pyrazin-2-yloxyphenyl)methylideneamino]guanidine
PubChem CID168591514
Molecular FormulaC12H12N6O
Molecular Weight256.27 g/mol
Exact Mass256.11
IUPAC Name2-[(3-pyrazin-2-yloxyphenyl)methylideneamino]guanidine
SMILESNC(N)=NN=Cc1cccc(Oc2cnccn2)c1
InChIInChI=1S/C12H12N6O/c13-12(14)18-17-7-9-2-1-3-10(6-9)19-11-8-15-4-5-16-11/h1-8H,(H4,13,14,18)
InChIKeyFHPLMYGWLBQBLS-UHFFFAOYSA-N
XLogP0.88
TPSA111.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.27
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[[3-(4-aminophenoxy)phenyl]methylideneamino]guanidine
CID 168591305
2-[(3-ethoxyphenyl)methylideneamino]guanidine
CID 76880079
benzyl N'-[(3-pyridin-2-yloxyphenyl)methylideneamino]carbamimidothioate
CID 168612171
2-[(E)-pyridin-3-ylmethylideneamino]guanidine;hydrochloride
CID 54609066
2-[[3-(2,2,2-trifluoroethoxy)phenyl]methylideneamino]guanidine
CID 168592270
2-[(E)-(3-butoxyphenyl)methylideneamino]guanidine
CID 110340446
(3-pyridin-2-yloxyphenyl)methylidenehydrazine
CID 168530003
2-[[3-(1,1,2,2-tetrafluoroethoxy)phenyl]methylideneamino]guanidine
CID 168593001
2-(3-iodophenoxy)pyrazine
CID 60644113
2-[(E)-[3-[(4-bromophenyl)methoxy]phenyl]methylideneamino]guanidine
CID 110338183
ethyl 2-[3-[(Z)-(diaminomethylidenehydrazinylidene)methyl]phenoxy]acetate
CID 71670101
2-[(4-pyrimidin-2-yloxyphenyl)methylideneamino]guanidine
CID 168591058

Frequently Asked Questions

What is the IUPAC name of 2-[(3-pyrazin-2-yloxyphenyl)methylideneamino]guanidine?
The IUPAC name of 2-[(3-pyrazin-2-yloxyphenyl)methylideneamino]guanidine (CID 168591514) is 2-[(3-pyrazin-2-yloxyphenyl)methylideneamino]guanidine.
What is the SMILES notation for 2-[(3-pyrazin-2-yloxyphenyl)methylideneamino]guanidine?
The canonical SMILES for 2-[(3-pyrazin-2-yloxyphenyl)methylideneamino]guanidine is NC(N)=NN=Cc1cccc(Oc2cnccn2)c1.
What is the InChIKey of 2-[(3-pyrazin-2-yloxyphenyl)methylideneamino]guanidine?
The InChIKey is FHPLMYGWLBQBLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N6O/c13-12(14)18-17-7-9-2-1-3-10(6-9)19-11-8-15-4-5-16-11/h1-8H,(H4,13,14,18).
What are the key properties of 2-[(3-pyrazin-2-yloxyphenyl)methylideneamino]guanidine?
2-[(3-pyrazin-2-yloxyphenyl)methylideneamino]guanidine has a molecular weight of 256.27 g/mol, XLogP of 0.88, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-pyrazin-2-yloxyphenyl)methylideneamino]guanidine is sourced from PubChem (CID 168591514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).