(7Z)-2,5,6-trimethyl-9-methylidene-4,5-dihydro-1H-1,3,6-triazonine

C10H17N3 — CID 139363135

IUPAC(7Z)-2,5,6-trimethyl-9-methylidene-4,5-dihydro-1H-1,3,6-triazonine
SMILESC=C1/C=C\N(C)C(C)C/N=C(/C)N1
InChIInChI=1S/C10H17N3/c1-8-5-6-13(4)9(2)7-11-10(3)12-8/h5-6,9H,1,7H2,2-4H3,(H,11,12)/b6-5-
InChIKeyIBBACLQQMXTAGB-WAYWQWQTSA-N
MW179.27 g/mol
LogP1.36
Rot. Bonds

About (7Z)-2,5,6-trimethyl-9-methylidene-4,5-dihydro-1H-1,3,6-triazonine

(7Z)-2,5,6-trimethyl-9-methylidene-4,5-dihydro-1H-1,3,6-triazonine (PubChem CID 139363135) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is (7Z)-2,5,6-trimethyl-9-methylidene-4,5-dihydro-1H-1,3,6-triazonine.

Molecular Properties

Compound Name(7Z)-2,5,6-trimethyl-9-methylidene-4,5-dihydro-1H-1,3,6-triazonine
PubChem CID139363135
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC Name(7Z)-2,5,6-trimethyl-9-methylidene-4,5-dihydro-1H-1,3,6-triazonine
SMILESC=C1/C=C\N(C)C(C)C/N=C(/C)N1
InChIInChI=1S/C10H17N3/c1-8-5-6-13(4)9(2)7-11-10(3)12-8/h5-6,9H,1,7H2,2-4H3,(H,11,12)/b6-5-
InChIKeyIBBACLQQMXTAGB-WAYWQWQTSA-N
XLogP1.36
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.27
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (7Z)-2,5,6-trimethyl-9-methylidene-4,5-dihydro-1H-1,3,6-triazonine 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 (7Z)-2,5,6-trimethyl-9-methylidene-4,5-dihydro-1H-1,3,6-triazonine?
The IUPAC name of (7Z)-2,5,6-trimethyl-9-methylidene-4,5-dihydro-1H-1,3,6-triazonine (CID 139363135) is (7Z)-2,5,6-trimethyl-9-methylidene-4,5-dihydro-1H-1,3,6-triazonine.
What is the SMILES notation for (7Z)-2,5,6-trimethyl-9-methylidene-4,5-dihydro-1H-1,3,6-triazonine?
The canonical SMILES for (7Z)-2,5,6-trimethyl-9-methylidene-4,5-dihydro-1H-1,3,6-triazonine is C=C1/C=C\N(C)C(C)C/N=C(/C)N1.
What is the InChIKey of (7Z)-2,5,6-trimethyl-9-methylidene-4,5-dihydro-1H-1,3,6-triazonine?
The InChIKey is IBBACLQQMXTAGB-WAYWQWQTSA-N. The full InChI is InChI=1S/C10H17N3/c1-8-5-6-13(4)9(2)7-11-10(3)12-8/h5-6,9H,1,7H2,2-4H3,(H,11,12)/b6-5-.
What are the key properties of (7Z)-2,5,6-trimethyl-9-methylidene-4,5-dihydro-1H-1,3,6-triazonine?
(7Z)-2,5,6-trimethyl-9-methylidene-4,5-dihydro-1H-1,3,6-triazonine has a molecular weight of 179.27 g/mol, XLogP of 1.36, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7Z)-2,5,6-trimethyl-9-methylidene-4,5-dihydro-1H-1,3,6-triazonine is sourced from PubChem (CID 139363135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).