(5E)-6-tert-butyl-1,4-diazacycloocta-2,3,5,7,8-pentaene

C10H12N2 — CID 170078872

IUPAC(5E)-6-tert-butyl-1,4-diazacycloocta-2,3,5,7,8-pentaene
SMILESCC(C)(C)/C1=C/N=C=CN=C=C1
InChIInChI=1S/C10H12N2/c1-10(2,3)9-4-5-11-6-7-12-8-9/h4,6,8H,1-3H3/b9-8+
InChIKeySCHBLYCNHZTERW-CMDGGOBGSA-N
MW160.22 g/mol
LogP2.34
Rot. Bonds

About (5E)-6-tert-butyl-1,4-diazacycloocta-2,3,5,7,8-pentaene

(5E)-6-tert-butyl-1,4-diazacycloocta-2,3,5,7,8-pentaene (PubChem CID 170078872) has the molecular formula C10H12N2 and a molecular weight of 160.22 g/mol. Its IUPAC name is (5E)-6-tert-butyl-1,4-diazacycloocta-2,3,5,7,8-pentaene.

Molecular Properties

Compound Name(5E)-6-tert-butyl-1,4-diazacycloocta-2,3,5,7,8-pentaene
PubChem CID170078872
Molecular FormulaC10H12N2
Molecular Weight160.22 g/mol
Exact Mass160.10
IUPAC Name(5E)-6-tert-butyl-1,4-diazacycloocta-2,3,5,7,8-pentaene
SMILESCC(C)(C)/C1=C/N=C=CN=C=C1
InChIInChI=1S/C10H12N2/c1-10(2,3)9-4-5-11-6-7-12-8-9/h4,6,8H,1-3H3/b9-8+
InChIKeySCHBLYCNHZTERW-CMDGGOBGSA-N
XLogP2.34
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5E)-6-tert-butyl-1,4-diazacycloocta-2,3,5,7,8-pentaene?
The IUPAC name of (5E)-6-tert-butyl-1,4-diazacycloocta-2,3,5,7,8-pentaene (CID 170078872) is (5E)-6-tert-butyl-1,4-diazacycloocta-2,3,5,7,8-pentaene.
What is the SMILES notation for (5E)-6-tert-butyl-1,4-diazacycloocta-2,3,5,7,8-pentaene?
The canonical SMILES for (5E)-6-tert-butyl-1,4-diazacycloocta-2,3,5,7,8-pentaene is CC(C)(C)/C1=C/N=C=CN=C=C1.
What is the InChIKey of (5E)-6-tert-butyl-1,4-diazacycloocta-2,3,5,7,8-pentaene?
The InChIKey is SCHBLYCNHZTERW-CMDGGOBGSA-N. The full InChI is InChI=1S/C10H12N2/c1-10(2,3)9-4-5-11-6-7-12-8-9/h4,6,8H,1-3H3/b9-8+.
What are the key properties of (5E)-6-tert-butyl-1,4-diazacycloocta-2,3,5,7,8-pentaene?
(5E)-6-tert-butyl-1,4-diazacycloocta-2,3,5,7,8-pentaene has a molecular weight of 160.22 g/mol, XLogP of 2.34, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-6-tert-butyl-1,4-diazacycloocta-2,3,5,7,8-pentaene is sourced from PubChem (CID 170078872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).