N-[(2Z)-2-ethylidene-1,3-diazacyclohepta-3,4,6-trien-1-yl]methanimine

C8H9N3 — CID 134578109

IUPACN-[(2Z)-2-ethylidene-1,3-diazacyclohepta-3,4,6-trien-1-yl]methanimine
SMILESC=NN1C=CC=C=N/C1=C/C
InChIInChI=1S/C8H9N3/c1-3-8-10-6-4-5-7-11(8)9-2/h3-5,7H,2H2,1H3/b8-3-
InChIKeyCIYZFVCILDYYJQ-BAQGIRSFSA-N
MW147.18 g/mol
LogP1.52
Rot. Bonds1

About N-[(2Z)-2-ethylidene-1,3-diazacyclohepta-3,4,6-trien-1-yl]methanimine

N-[(2Z)-2-ethylidene-1,3-diazacyclohepta-3,4,6-trien-1-yl]methanimine (PubChem CID 134578109) has the molecular formula C8H9N3 and a molecular weight of 147.18 g/mol. Its IUPAC name is N-[(2Z)-2-ethylidene-1,3-diazacyclohepta-3,4,6-trien-1-yl]methanimine.

Molecular Properties

Compound NameN-[(2Z)-2-ethylidene-1,3-diazacyclohepta-3,4,6-trien-1-yl]methanimine
PubChem CID134578109
Molecular FormulaC8H9N3
Molecular Weight147.18 g/mol
Exact Mass147.08
IUPAC NameN-[(2Z)-2-ethylidene-1,3-diazacyclohepta-3,4,6-trien-1-yl]methanimine
SMILESC=NN1C=CC=C=N/C1=C/C
InChIInChI=1S/C8H9N3/c1-3-8-10-6-4-5-7-11(8)9-2/h3-5,7H,2H2,1H3/b8-3-
InChIKeyCIYZFVCILDYYJQ-BAQGIRSFSA-N
XLogP1.52
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.18
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[(2Z)-2-ethylidene-1,3-diazacyclohepta-3,4,6-trien-1-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

Related Compounds

CID 90210952
CID 90210952
CID 90211148
CID 90211148
CID 134286514
CID 134286514
CID 137413283
CID 137413283
CID 145221267
CID 145221267
CID 145501025
CID 145501025
CID 173542653
CID 173542653
CID 174047678
CID 174047678

Frequently Asked Questions

What is the IUPAC name of N-[(2Z)-2-ethylidene-1,3-diazacyclohepta-3,4,6-trien-1-yl]methanimine?
The IUPAC name of N-[(2Z)-2-ethylidene-1,3-diazacyclohepta-3,4,6-trien-1-yl]methanimine (CID 134578109) is N-[(2Z)-2-ethylidene-1,3-diazacyclohepta-3,4,6-trien-1-yl]methanimine.
What is the SMILES notation for N-[(2Z)-2-ethylidene-1,3-diazacyclohepta-3,4,6-trien-1-yl]methanimine?
The canonical SMILES for N-[(2Z)-2-ethylidene-1,3-diazacyclohepta-3,4,6-trien-1-yl]methanimine is C=NN1C=CC=C=N/C1=C/C.
What is the InChIKey of N-[(2Z)-2-ethylidene-1,3-diazacyclohepta-3,4,6-trien-1-yl]methanimine?
The InChIKey is CIYZFVCILDYYJQ-BAQGIRSFSA-N. The full InChI is InChI=1S/C8H9N3/c1-3-8-10-6-4-5-7-11(8)9-2/h3-5,7H,2H2,1H3/b8-3-.
What are the key properties of N-[(2Z)-2-ethylidene-1,3-diazacyclohepta-3,4,6-trien-1-yl]methanimine?
N-[(2Z)-2-ethylidene-1,3-diazacyclohepta-3,4,6-trien-1-yl]methanimine has a molecular weight of 147.18 g/mol, XLogP of 1.52, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2Z)-2-ethylidene-1,3-diazacyclohepta-3,4,6-trien-1-yl]methanimine is sourced from PubChem (CID 134578109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).