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

C9H12N2 — CID 126694318

IUPAC2,5-diethyl-1,3-diazacyclohepta-2,4,6,7-tetraene
SMILESCCC1=CN=C(CC)N=C=C1
InChIInChI=1S/C9H12N2/c1-3-8-5-6-10-9(4-2)11-7-8/h5,7H,3-4H2,1-2H3
InChIKeyDLJOLESOABYKPU-UHFFFAOYSA-N
MW148.21 g/mol
LogP2.33
Rot. Bonds2

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

2,5-diethyl-1,3-diazacyclohepta-2,4,6,7-tetraene (PubChem CID 126694318) has the molecular formula C9H12N2 and a molecular weight of 148.21 g/mol. Its IUPAC name is 2,5-diethyl-1,3-diazacyclohepta-2,4,6,7-tetraene.

Molecular Properties

Compound Name2,5-diethyl-1,3-diazacyclohepta-2,4,6,7-tetraene
PubChem CID126694318
Molecular FormulaC9H12N2
Molecular Weight148.21 g/mol
Exact Mass148.10
IUPAC Name2,5-diethyl-1,3-diazacyclohepta-2,4,6,7-tetraene
SMILESCCC1=CN=C(CC)N=C=C1
InChIInChI=1S/C9H12N2/c1-3-8-5-6-10-9(4-2)11-7-8/h5,7H,3-4H2,1-2H3
InChIKeyDLJOLESOABYKPU-UHFFFAOYSA-N
XLogP2.33
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.21
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N'-[(1Z)-2-ethylbuta-1,3-dienyl]ethanimidamide
CID 123670812
5-Butyl-1,3-diazacyclohepta-2,4,6,7-tetraene
CID 123835850
2,5-Dimethyl-1,3-diazacyclohepta-2,4,6,7-tetraene
CID 123929868
5-Propan-2-yl-1,3-diazacyclohepta-2,4,6,7-tetraene
CID 126548681
5-Ethyl-1,3-diazacyclohepta-2,4,6,7-tetraene
CID 138630854
N'-methyl-N-(3-methylbuta-1,3-dienylidene)propanimidamide
CID 138643577
2,6-dimethyl-5H-1,3-diazepine
CID 138718213
N'-[(1Z)-2-ethylbuta-1,3-dienyl]-N-ethylidenemethanimidamide
CID 155140053
N'-[(1E)-2-ethenyl-3-methylbuta-1,3-dienyl]ethanimidamide
CID 145381830

Frequently Asked Questions

What is the IUPAC name of 2,5-diethyl-1,3-diazacyclohepta-2,4,6,7-tetraene?
The IUPAC name of 2,5-diethyl-1,3-diazacyclohepta-2,4,6,7-tetraene (CID 126694318) is 2,5-diethyl-1,3-diazacyclohepta-2,4,6,7-tetraene.
What is the SMILES notation for 2,5-diethyl-1,3-diazacyclohepta-2,4,6,7-tetraene?
The canonical SMILES for 2,5-diethyl-1,3-diazacyclohepta-2,4,6,7-tetraene is CCC1=CN=C(CC)N=C=C1.
What is the InChIKey of 2,5-diethyl-1,3-diazacyclohepta-2,4,6,7-tetraene?
The InChIKey is DLJOLESOABYKPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2/c1-3-8-5-6-10-9(4-2)11-7-8/h5,7H,3-4H2,1-2H3.
What are the key properties of 2,5-diethyl-1,3-diazacyclohepta-2,4,6,7-tetraene?
2,5-diethyl-1,3-diazacyclohepta-2,4,6,7-tetraene has a molecular weight of 148.21 g/mol, XLogP of 2.33, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-diethyl-1,3-diazacyclohepta-2,4,6,7-tetraene is sourced from PubChem (CID 126694318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).