2-ethyl-1,4-diazacyclohepta-2,3,5,7-tetraene

C7H8N2 — CID 129103571

IUPAC2-ethyl-1,4-diazacyclohepta-2,3,5,7-tetraene
SMILESCCC1=C=NC=CC=N1
InChIInChI=1S/C7H8N2/c1-2-7-6-8-4-3-5-9-7/h3-5H,2H2,1H3
InChIKeyNIGQASIBXRJIMI-UHFFFAOYSA-N
MW120.15 g/mol
LogP1.55
Rot. Bonds1

About 2-ethyl-1,4-diazacyclohepta-2,3,5,7-tetraene

2-ethyl-1,4-diazacyclohepta-2,3,5,7-tetraene (PubChem CID 129103571) has the molecular formula C7H8N2 and a molecular weight of 120.15 g/mol. Its IUPAC name is 2-ethyl-1,4-diazacyclohepta-2,3,5,7-tetraene.

Molecular Properties

Compound Name2-ethyl-1,4-diazacyclohepta-2,3,5,7-tetraene
PubChem CID129103571
Molecular FormulaC7H8N2
Molecular Weight120.15 g/mol
Exact Mass120.07
IUPAC Name2-ethyl-1,4-diazacyclohepta-2,3,5,7-tetraene
SMILESCCC1=C=NC=CC=N1
InChIInChI=1S/C7H8N2/c1-2-7-6-8-4-3-5-9-7/h3-5H,2H2,1H3
InChIKeyNIGQASIBXRJIMI-UHFFFAOYSA-N
XLogP1.55
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.15
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-N'-methylideneprop-2-ene-1,3-diimine
CID 91606293
5-methyl-2H-1,4-diazepine
CID 68086120
2-Methyl-1,5-diazocine
CID 76548114
(Z)-3-prop-1-en-2-yliminoprop-1-en-1-amine
CID 88236263
(Z)-3-but-1-en-2-yliminoprop-1-en-1-amine
CID 88268688
(Z)-2-N-methyl-4-N-methylidenebut-3-ene-2,4-diimine
CID 88585998
(Z)-1-(prop-2-enylideneamino)but-1-en-2-amine
CID 88594373
(Z)-2-(prop-2-enylideneamino)prop-1-en-1-amine
CID 88885354
(Z)-1-(prop-2-enylideneamino)prop-1-en-2-amine
CID 88963507
(E)-1-(prop-2-enylideneamino)but-1-en-2-amine
CID 88976713
3-methyl-2H-1,4-diazepine
CID 89043963
(Z)-N-but-1-en-2-ylbut-2-en-1-imine
CID 89097771

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1,4-diazacyclohepta-2,3,5,7-tetraene?
The IUPAC name of 2-ethyl-1,4-diazacyclohepta-2,3,5,7-tetraene (CID 129103571) is 2-ethyl-1,4-diazacyclohepta-2,3,5,7-tetraene.
What is the SMILES notation for 2-ethyl-1,4-diazacyclohepta-2,3,5,7-tetraene?
The canonical SMILES for 2-ethyl-1,4-diazacyclohepta-2,3,5,7-tetraene is CCC1=C=NC=CC=N1.
What is the InChIKey of 2-ethyl-1,4-diazacyclohepta-2,3,5,7-tetraene?
The InChIKey is NIGQASIBXRJIMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2/c1-2-7-6-8-4-3-5-9-7/h3-5H,2H2,1H3.
What are the key properties of 2-ethyl-1,4-diazacyclohepta-2,3,5,7-tetraene?
2-ethyl-1,4-diazacyclohepta-2,3,5,7-tetraene has a molecular weight of 120.15 g/mol, XLogP of 1.55, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1,4-diazacyclohepta-2,3,5,7-tetraene is sourced from PubChem (CID 129103571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).