(7Z)-6,6-dimethyl-1,4-diazacycloocta-1,2,4,7-tetraene

C8H10N2 — CID 166730217

IUPAC(7Z)-6,6-dimethyl-1,4-diazacycloocta-1,2,4,7-tetraene
SMILESCC1(C)/C=C\N=C=C/N=C\1
InChIInChI=1S/C8H10N2/c1-8(2)3-4-9-5-6-10-7-8/h3-4,6-7H,1-2H3/b4-3-,10-7-
InChIKeyCAXFYZWHTFZJSU-ZJSQCTGTSA-N
MW134.18 g/mol
LogP1.79
Rot. Bonds

About (7Z)-6,6-dimethyl-1,4-diazacycloocta-1,2,4,7-tetraene

(7Z)-6,6-dimethyl-1,4-diazacycloocta-1,2,4,7-tetraene (PubChem CID 166730217) has the molecular formula C8H10N2 and a molecular weight of 134.18 g/mol. Its IUPAC name is (7Z)-6,6-dimethyl-1,4-diazacycloocta-1,2,4,7-tetraene.

Molecular Properties

Compound Name(7Z)-6,6-dimethyl-1,4-diazacycloocta-1,2,4,7-tetraene
PubChem CID166730217
Molecular FormulaC8H10N2
Molecular Weight134.18 g/mol
Exact Mass134.08
IUPAC Name(7Z)-6,6-dimethyl-1,4-diazacycloocta-1,2,4,7-tetraene
SMILESCC1(C)/C=C\N=C=C/N=C\1
InChIInChI=1S/C8H10N2/c1-8(2)3-4-9-5-6-10-7-8/h3-4,6-7H,1-2H3/b4-3-,10-7-
InChIKeyCAXFYZWHTFZJSU-ZJSQCTGTSA-N
XLogP1.79
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.18
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (7Z)-6,6-dimethyl-1,4-diazacycloocta-1,2,4,7-tetraene?
The IUPAC name of (7Z)-6,6-dimethyl-1,4-diazacycloocta-1,2,4,7-tetraene (CID 166730217) is (7Z)-6,6-dimethyl-1,4-diazacycloocta-1,2,4,7-tetraene.
What is the SMILES notation for (7Z)-6,6-dimethyl-1,4-diazacycloocta-1,2,4,7-tetraene?
The canonical SMILES for (7Z)-6,6-dimethyl-1,4-diazacycloocta-1,2,4,7-tetraene is CC1(C)/C=C\N=C=C/N=C\1.
What is the InChIKey of (7Z)-6,6-dimethyl-1,4-diazacycloocta-1,2,4,7-tetraene?
The InChIKey is CAXFYZWHTFZJSU-ZJSQCTGTSA-N. The full InChI is InChI=1S/C8H10N2/c1-8(2)3-4-9-5-6-10-7-8/h3-4,6-7H,1-2H3/b4-3-,10-7-.
What are the key properties of (7Z)-6,6-dimethyl-1,4-diazacycloocta-1,2,4,7-tetraene?
(7Z)-6,6-dimethyl-1,4-diazacycloocta-1,2,4,7-tetraene has a molecular weight of 134.18 g/mol, XLogP of 1.79, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7Z)-6,6-dimethyl-1,4-diazacycloocta-1,2,4,7-tetraene is sourced from PubChem (CID 166730217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).