N-[3-[(Z)-prop-1-enyl]pyrazin-2-yl]methanimine

C8H9N3 — CID 67990430

IUPACN-[3-[(Z)-prop-1-enyl]pyrazin-2-yl]methanimine
SMILESC=Nc1nccnc1/C=C\C
InChIInChI=1S/C8H9N3/c1-3-4-7-8(9-2)11-6-5-10-7/h3-6H,2H2,1H3/b4-3-
InChIKeyQOANUXGGTNHAAO-ARJAWSKDSA-N
MW147.18 g/mol
LogP1.84
Rot. Bonds2

About N-[3-[(Z)-prop-1-enyl]pyrazin-2-yl]methanimine

N-[3-[(Z)-prop-1-enyl]pyrazin-2-yl]methanimine (PubChem CID 67990430) has the molecular formula C8H9N3 and a molecular weight of 147.18 g/mol. Its IUPAC name is N-[3-[(Z)-prop-1-enyl]pyrazin-2-yl]methanimine.

Molecular Properties

Compound NameN-[3-[(Z)-prop-1-enyl]pyrazin-2-yl]methanimine
PubChem CID67990430
Molecular FormulaC8H9N3
Molecular Weight147.18 g/mol
Exact Mass147.08
IUPAC NameN-[3-[(Z)-prop-1-enyl]pyrazin-2-yl]methanimine
SMILESC=Nc1nccnc1/C=C\C
InChIInChI=1S/C8H9N3/c1-3-4-7-8(9-2)11-6-5-10-7/h3-6H,2H2,1H3/b4-3-
InChIKeyQOANUXGGTNHAAO-ARJAWSKDSA-N
XLogP1.84
TPSA38.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.18
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[3-[(Z)-prop-1-enyl]pyrazin-2-yl]methanimine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[3-[(Z)-prop-1-enyl]pyrazin-2-yl]methanimine?
The IUPAC name of N-[3-[(Z)-prop-1-enyl]pyrazin-2-yl]methanimine (CID 67990430) is N-[3-[(Z)-prop-1-enyl]pyrazin-2-yl]methanimine.
What is the SMILES notation for N-[3-[(Z)-prop-1-enyl]pyrazin-2-yl]methanimine?
The canonical SMILES for N-[3-[(Z)-prop-1-enyl]pyrazin-2-yl]methanimine is C=Nc1nccnc1/C=C\C.
What is the InChIKey of N-[3-[(Z)-prop-1-enyl]pyrazin-2-yl]methanimine?
The InChIKey is QOANUXGGTNHAAO-ARJAWSKDSA-N. The full InChI is InChI=1S/C8H9N3/c1-3-4-7-8(9-2)11-6-5-10-7/h3-6H,2H2,1H3/b4-3-.
What are the key properties of N-[3-[(Z)-prop-1-enyl]pyrazin-2-yl]methanimine?
N-[3-[(Z)-prop-1-enyl]pyrazin-2-yl]methanimine has a molecular weight of 147.18 g/mol, XLogP of 1.84, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(Z)-prop-1-enyl]pyrazin-2-yl]methanimine is sourced from PubChem (CID 67990430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).