(3Z)-2,2-dimethyl-1,5-diazacycloocta-3,5,6,8-tetraene

C8H10N2 — CID 130440432

IUPAC(3Z)-2,2-dimethyl-1,5-diazacycloocta-3,5,6,8-tetraene
SMILESCC1(C)/C=C\N=C=C/C=N\1
InChIInChI=1S/C8H10N2/c1-8(2)4-7-9-5-3-6-10-8/h3-4,6-7H,1-2H3/b7-4-,10-6-
InChIKeyWWYAYALBGWOPIO-OBWMJXCISA-N
MW134.18 g/mol
LogP1.59
Rot. Bonds

About (3Z)-2,2-dimethyl-1,5-diazacycloocta-3,5,6,8-tetraene

(3Z)-2,2-dimethyl-1,5-diazacycloocta-3,5,6,8-tetraene (PubChem CID 130440432) has the molecular formula C8H10N2 and a molecular weight of 134.18 g/mol. Its IUPAC name is (3Z)-2,2-dimethyl-1,5-diazacycloocta-3,5,6,8-tetraene.

Molecular Properties

Compound Name(3Z)-2,2-dimethyl-1,5-diazacycloocta-3,5,6,8-tetraene
PubChem CID130440432
Molecular FormulaC8H10N2
Molecular Weight134.18 g/mol
Exact Mass134.08
IUPAC Name(3Z)-2,2-dimethyl-1,5-diazacycloocta-3,5,6,8-tetraene
SMILESCC1(C)/C=C\N=C=C/C=N\1
InChIInChI=1S/C8H10N2/c1-8(2)4-7-9-5-3-6-10-8/h3-4,6-7H,1-2H3/b7-4-,10-6-
InChIKeyWWYAYALBGWOPIO-OBWMJXCISA-N
XLogP1.59
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 ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3Z)-2,2-dimethyl-1,5-diazacycloocta-3,5,6,8-tetraene?
The IUPAC name of (3Z)-2,2-dimethyl-1,5-diazacycloocta-3,5,6,8-tetraene (CID 130440432) is (3Z)-2,2-dimethyl-1,5-diazacycloocta-3,5,6,8-tetraene.
What is the SMILES notation for (3Z)-2,2-dimethyl-1,5-diazacycloocta-3,5,6,8-tetraene?
The canonical SMILES for (3Z)-2,2-dimethyl-1,5-diazacycloocta-3,5,6,8-tetraene is CC1(C)/C=C\N=C=C/C=N\1.
What is the InChIKey of (3Z)-2,2-dimethyl-1,5-diazacycloocta-3,5,6,8-tetraene?
The InChIKey is WWYAYALBGWOPIO-OBWMJXCISA-N. The full InChI is InChI=1S/C8H10N2/c1-8(2)4-7-9-5-3-6-10-8/h3-4,6-7H,1-2H3/b7-4-,10-6-.
What are the key properties of (3Z)-2,2-dimethyl-1,5-diazacycloocta-3,5,6,8-tetraene?
(3Z)-2,2-dimethyl-1,5-diazacycloocta-3,5,6,8-tetraene has a molecular weight of 134.18 g/mol, XLogP of 1.59, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-2,2-dimethyl-1,5-diazacycloocta-3,5,6,8-tetraene is sourced from PubChem (CID 130440432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).