[(Z)-3-amino-2-(6-methoxypyrazin-2-yl)prop-2-enylidene]azanium

C8H11N4O+ — CID 153330785

IUPAC[(Z)-3-amino-2-(6-methoxypyrazin-2-yl)prop-2-enylidene]azanium
SMILESCOc1cncc(/C(C=[NH2+])=C/N)n1
InChIInChI=1S/C8H10N4O/c1-13-8-5-11-4-7(12-8)6(2-9)3-10/h2-5,9H,10H2,1H3/p+1/b6-3+,9-2?
InChIKeyCUAJIHMGPWOLBK-FXEKUFBPSA-O
MW179.20 g/mol
LogP-1.39
Rot. Bonds3

About [(Z)-3-amino-2-(6-methoxypyrazin-2-yl)prop-2-enylidene]azanium

[(Z)-3-amino-2-(6-methoxypyrazin-2-yl)prop-2-enylidene]azanium (PubChem CID 153330785) has the molecular formula C8H11N4O+ and a molecular weight of 179.20 g/mol. Its IUPAC name is [(Z)-3-amino-2-(6-methoxypyrazin-2-yl)prop-2-enylidene]azanium.

Molecular Properties

Compound Name[(Z)-3-amino-2-(6-methoxypyrazin-2-yl)prop-2-enylidene]azanium
PubChem CID153330785
Molecular FormulaC8H11N4O+
Molecular Weight179.20 g/mol
Exact Mass179.09
IUPAC Name[(Z)-3-amino-2-(6-methoxypyrazin-2-yl)prop-2-enylidene]azanium
SMILESCOc1cncc(/C(C=[NH2+])=C/N)n1
InChIInChI=1S/C8H10N4O/c1-13-8-5-11-4-7(12-8)6(2-9)3-10/h2-5,9H,10H2,1H3/p+1/b6-3+,9-2?
InChIKeyCUAJIHMGPWOLBK-FXEKUFBPSA-O
XLogP-1.39
TPSA86.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.20
LogP ≤ 5-1.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(Z)-3-amino-2-(6-methoxypyrazin-2-yl)prop-2-enylidene]azanium?
The IUPAC name of [(Z)-3-amino-2-(6-methoxypyrazin-2-yl)prop-2-enylidene]azanium (CID 153330785) is [(Z)-3-amino-2-(6-methoxypyrazin-2-yl)prop-2-enylidene]azanium.
What is the SMILES notation for [(Z)-3-amino-2-(6-methoxypyrazin-2-yl)prop-2-enylidene]azanium?
The canonical SMILES for [(Z)-3-amino-2-(6-methoxypyrazin-2-yl)prop-2-enylidene]azanium is COc1cncc(/C(C=[NH2+])=C/N)n1.
What is the InChIKey of [(Z)-3-amino-2-(6-methoxypyrazin-2-yl)prop-2-enylidene]azanium?
The InChIKey is CUAJIHMGPWOLBK-FXEKUFBPSA-O. The full InChI is InChI=1S/C8H10N4O/c1-13-8-5-11-4-7(12-8)6(2-9)3-10/h2-5,9H,10H2,1H3/p+1/b6-3+,9-2?.
What are the key properties of [(Z)-3-amino-2-(6-methoxypyrazin-2-yl)prop-2-enylidene]azanium?
[(Z)-3-amino-2-(6-methoxypyrazin-2-yl)prop-2-enylidene]azanium has a molecular weight of 179.20 g/mol, XLogP of -1.39, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-3-amino-2-(6-methoxypyrazin-2-yl)prop-2-enylidene]azanium is sourced from PubChem (CID 153330785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).