(2Z,5Z,8Z)-1,4,7-trimethyl-1,4,7-triazonine

C9H15N3 — CID 12599645

IUPAC(2Z,5Z,8Z)-1,4,7-trimethyl-1,4,7-triazonine
SMILESCN1/C=C\N(C)/C=C\N(C)/C=C\1
InChIInChI=1S/C9H15N3/c1-10-4-6-11(2)8-9-12(3)7-5-10/h4-9H,1-3H3/b6-4-,7-5-,9-8-
InChIKeyACUHANXUISGPMY-WRQXQGDDSA-N
MW165.24 g/mol
LogP1.21
Rot. Bonds

About (2Z,5Z,8Z)-1,4,7-trimethyl-1,4,7-triazonine

(2Z,5Z,8Z)-1,4,7-trimethyl-1,4,7-triazonine (PubChem CID 12599645) has the molecular formula C9H15N3 and a molecular weight of 165.24 g/mol. Its IUPAC name is (2Z,5Z,8Z)-1,4,7-trimethyl-1,4,7-triazonine.

Molecular Properties

Compound Name(2Z,5Z,8Z)-1,4,7-trimethyl-1,4,7-triazonine
PubChem CID12599645
Molecular FormulaC9H15N3
Molecular Weight165.24 g/mol
Exact Mass165.13
IUPAC Name(2Z,5Z,8Z)-1,4,7-trimethyl-1,4,7-triazonine
SMILESCN1/C=C\N(C)/C=C\N(C)/C=C\1
InChIInChI=1S/C9H15N3/c1-10-4-6-11(2)8-9-12(3)7-5-10/h4-9H,1-3H3/b6-4-,7-5-,9-8-
InChIKeyACUHANXUISGPMY-WRQXQGDDSA-N
XLogP1.21
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2Z,5Z,8Z)-1,4,7-trimethyl-1,4,7-triazonine?
The IUPAC name of (2Z,5Z,8Z)-1,4,7-trimethyl-1,4,7-triazonine (CID 12599645) is (2Z,5Z,8Z)-1,4,7-trimethyl-1,4,7-triazonine.
What is the SMILES notation for (2Z,5Z,8Z)-1,4,7-trimethyl-1,4,7-triazonine?
The canonical SMILES for (2Z,5Z,8Z)-1,4,7-trimethyl-1,4,7-triazonine is CN1/C=C\N(C)/C=C\N(C)/C=C\1.
What is the InChIKey of (2Z,5Z,8Z)-1,4,7-trimethyl-1,4,7-triazonine?
The InChIKey is ACUHANXUISGPMY-WRQXQGDDSA-N. The full InChI is InChI=1S/C9H15N3/c1-10-4-6-11(2)8-9-12(3)7-5-10/h4-9H,1-3H3/b6-4-,7-5-,9-8-.
What are the key properties of (2Z,5Z,8Z)-1,4,7-trimethyl-1,4,7-triazonine?
(2Z,5Z,8Z)-1,4,7-trimethyl-1,4,7-triazonine has a molecular weight of 165.24 g/mol, XLogP of 1.21, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,5Z,8Z)-1,4,7-trimethyl-1,4,7-triazonine is sourced from PubChem (CID 12599645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).