1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethanimine

C7H11N5 — CID 64574725

IUPAC1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethanimine
SMILES[H]/N=C(\C)N1CCn2cnnc2C1
InChIInChI=1S/C7H11N5/c1-6(8)11-2-3-12-5-9-10-7(12)4-11/h5,8H,2-4H2,1H3/b8-6+
InChIKeyWTVZACSYMQXURT-SOFGYWHQSA-N
MW165.20 g/mol
LogP0.09
Rot. Bonds

About 1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethanimine

1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethanimine (PubChem CID 64574725) has the molecular formula C7H11N5 and a molecular weight of 165.20 g/mol. Its IUPAC name is 1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethanimine.

Molecular Properties

Compound Name1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethanimine
PubChem CID64574725
Molecular FormulaC7H11N5
Molecular Weight165.20 g/mol
Exact Mass165.10
IUPAC Name1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethanimine
SMILES[H]/N=C(\C)N1CCn2cnnc2C1
InChIInChI=1S/C7H11N5/c1-6(8)11-2-3-12-5-9-10-7(12)4-11/h5,8H,2-4H2,1H3/b8-6+
InChIKeyWTVZACSYMQXURT-SOFGYWHQSA-N
XLogP0.09
TPSA57.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.20
LogP ≤ 50.09
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of 1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethanimine?
The IUPAC name of 1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethanimine (CID 64574725) is 1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethanimine.
What is the SMILES notation for 1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethanimine?
The canonical SMILES for 1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethanimine is [H]/N=C(\C)N1CCn2cnnc2C1.
What is the InChIKey of 1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethanimine?
The InChIKey is WTVZACSYMQXURT-SOFGYWHQSA-N. The full InChI is InChI=1S/C7H11N5/c1-6(8)11-2-3-12-5-9-10-7(12)4-11/h5,8H,2-4H2,1H3/b8-6+.
What are the key properties of 1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethanimine?
1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethanimine has a molecular weight of 165.20 g/mol, XLogP of 0.09, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethanimine is sourced from PubChem (CID 64574725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).