6-methyl-1,4-diazacyclohepta-2,3,5,7-tetraene

C6H6N2 — CID 130193946

IUPAC6-methyl-1,4-diazacyclohepta-2,3,5,7-tetraene
SMILESCC1=CN=C=CN=C1
InChIInChI=1S/C6H6N2/c1-6-4-7-2-3-8-5-6/h2,4-5H,1H3
InChIKeyJGCNQMOJCCSBEW-UHFFFAOYSA-N
MW106.13 g/mol
LogP1.16
Rot. Bonds

About 6-methyl-1,4-diazacyclohepta-2,3,5,7-tetraene

6-methyl-1,4-diazacyclohepta-2,3,5,7-tetraene (PubChem CID 130193946) has the molecular formula C6H6N2 and a molecular weight of 106.13 g/mol. Its IUPAC name is 6-methyl-1,4-diazacyclohepta-2,3,5,7-tetraene.

Molecular Properties

Compound Name6-methyl-1,4-diazacyclohepta-2,3,5,7-tetraene
PubChem CID130193946
Molecular FormulaC6H6N2
Molecular Weight106.13 g/mol
Exact Mass106.05
IUPAC Name6-methyl-1,4-diazacyclohepta-2,3,5,7-tetraene
SMILESCC1=CN=C=CN=C1
InChIInChI=1S/C6H6N2/c1-6-4-7-2-3-8-5-6/h2,4-5H,1H3
InChIKeyJGCNQMOJCCSBEW-UHFFFAOYSA-N
XLogP1.16
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500106.13
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(E)-2-fluoroprop-1-enyl]-2-methylprop-2-en-1-imine
CID 143939006
(E)-N-methyl-N'-methylidene-2-(trifluoromethyl)prop-2-ene-1,3-diimine
CID 167172073
(Z)-N,N,2-trimethyl-3-methyliminoprop-1-en-1-amine
CID 20667854
Methyl-(2-methyl-3-methyliminoprop-1-enyl)azanide
CID 58028323
3-Methylazete
CID 58230855
(E)-N,N,2-trimethyl-3-methyliminoprop-1-en-1-amine
CID 59959971
6-methyl-2H-1,4-diazepine
CID 68265859
(Z)-N'-ethylidene-2-methylprop-2-ene-1,3-diimine
CID 88539326
(Z)-N'-ethylidene-N,2-dimethylprop-2-ene-1,3-diimine
CID 88575448
(Z)-N,2-dimethyl-N'-methylideneprop-2-ene-1,3-diimine
CID 88988227
2,6-dimethyl-2H-1,4-diazepine
CID 89084030
N-[(Z)-3-imino-2-methylprop-1-enyl]methanimidoyl iodide
CID 89502288

Frequently Asked Questions

What is the IUPAC name of 6-methyl-1,4-diazacyclohepta-2,3,5,7-tetraene?
The IUPAC name of 6-methyl-1,4-diazacyclohepta-2,3,5,7-tetraene (CID 130193946) is 6-methyl-1,4-diazacyclohepta-2,3,5,7-tetraene.
What is the SMILES notation for 6-methyl-1,4-diazacyclohepta-2,3,5,7-tetraene?
The canonical SMILES for 6-methyl-1,4-diazacyclohepta-2,3,5,7-tetraene is CC1=CN=C=CN=C1.
What is the InChIKey of 6-methyl-1,4-diazacyclohepta-2,3,5,7-tetraene?
The InChIKey is JGCNQMOJCCSBEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N2/c1-6-4-7-2-3-8-5-6/h2,4-5H,1H3.
What are the key properties of 6-methyl-1,4-diazacyclohepta-2,3,5,7-tetraene?
6-methyl-1,4-diazacyclohepta-2,3,5,7-tetraene has a molecular weight of 106.13 g/mol, XLogP of 1.16, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1,4-diazacyclohepta-2,3,5,7-tetraene is sourced from PubChem (CID 130193946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).