(8Z)-7-methyl-1,2,5,7-tetrahydro-1,3,5-triazonin-6-imine

C7H12N4 — CID 176540861

IUPAC(8Z)-7-methyl-1,2,5,7-tetrahydro-1,3,5-triazonin-6-imine
SMILES[H]/N=C1\NC=NCN/C=C\C1C
InChIInChI=1S/C7H12N4/c1-6-2-3-9-4-10-5-11-7(6)8/h2-3,5-6,9H,4H2,1H3,(H2,8,10,11)/b3-2-
InChIKeyHRYKCDZAWKVGDY-IHWYPQMZSA-N
MW152.20 g/mol
LogP0.29
Rot. Bonds

About (8Z)-7-methyl-1,2,5,7-tetrahydro-1,3,5-triazonin-6-imine

(8Z)-7-methyl-1,2,5,7-tetrahydro-1,3,5-triazonin-6-imine (PubChem CID 176540861) has the molecular formula C7H12N4 and a molecular weight of 152.20 g/mol. Its IUPAC name is (8Z)-7-methyl-1,2,5,7-tetrahydro-1,3,5-triazonin-6-imine.

Molecular Properties

Compound Name(8Z)-7-methyl-1,2,5,7-tetrahydro-1,3,5-triazonin-6-imine
PubChem CID176540861
Molecular FormulaC7H12N4
Molecular Weight152.20 g/mol
Exact Mass152.11
IUPAC Name(8Z)-7-methyl-1,2,5,7-tetrahydro-1,3,5-triazonin-6-imine
SMILES[H]/N=C1\NC=NCN/C=C\C1C
InChIInChI=1S/C7H12N4/c1-6-2-3-9-4-10-5-11-7(6)8/h2-3,5-6,9H,4H2,1H3,(H2,8,10,11)/b3-2-
InChIKeyHRYKCDZAWKVGDY-IHWYPQMZSA-N
XLogP0.29
TPSA60.27 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 50.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (8Z)-7-methyl-1,2,5,7-tetrahydro-1,3,5-triazonin-6-imine 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 (8Z)-7-methyl-1,2,5,7-tetrahydro-1,3,5-triazonin-6-imine?
The IUPAC name of (8Z)-7-methyl-1,2,5,7-tetrahydro-1,3,5-triazonin-6-imine (CID 176540861) is (8Z)-7-methyl-1,2,5,7-tetrahydro-1,3,5-triazonin-6-imine.
What is the SMILES notation for (8Z)-7-methyl-1,2,5,7-tetrahydro-1,3,5-triazonin-6-imine?
The canonical SMILES for (8Z)-7-methyl-1,2,5,7-tetrahydro-1,3,5-triazonin-6-imine is [H]/N=C1\NC=NCN/C=C\C1C.
What is the InChIKey of (8Z)-7-methyl-1,2,5,7-tetrahydro-1,3,5-triazonin-6-imine?
The InChIKey is HRYKCDZAWKVGDY-IHWYPQMZSA-N. The full InChI is InChI=1S/C7H12N4/c1-6-2-3-9-4-10-5-11-7(6)8/h2-3,5-6,9H,4H2,1H3,(H2,8,10,11)/b3-2-.
What are the key properties of (8Z)-7-methyl-1,2,5,7-tetrahydro-1,3,5-triazonin-6-imine?
(8Z)-7-methyl-1,2,5,7-tetrahydro-1,3,5-triazonin-6-imine has a molecular weight of 152.20 g/mol, XLogP of 0.29, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (8Z)-7-methyl-1,2,5,7-tetrahydro-1,3,5-triazonin-6-imine is sourced from PubChem (CID 176540861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).