5-propyl-1,4-diazacyclohepta-2,4,6,7-tetraene

C8H10N2 — CID 123658403

IUPAC5-propyl-1,4-diazacyclohepta-2,4,6,7-tetraene
SMILESCCCC1=NC=CN=C=C1
InChIInChI=1S/C8H10N2/c1-2-3-8-4-5-9-6-7-10-8/h4,6-7H,2-3H2,1H3
InChIKeyZYIJELRBCUTKPX-UHFFFAOYSA-N
MW134.18 g/mol
LogP1.94
Rot. Bonds2

About 5-propyl-1,4-diazacyclohepta-2,4,6,7-tetraene

5-propyl-1,4-diazacyclohepta-2,4,6,7-tetraene (PubChem CID 123658403) has the molecular formula C8H10N2 and a molecular weight of 134.18 g/mol. Its IUPAC name is 5-propyl-1,4-diazacyclohepta-2,4,6,7-tetraene.

Molecular Properties

Compound Name5-propyl-1,4-diazacyclohepta-2,4,6,7-tetraene
PubChem CID123658403
Molecular FormulaC8H10N2
Molecular Weight134.18 g/mol
Exact Mass134.08
IUPAC Name5-propyl-1,4-diazacyclohepta-2,4,6,7-tetraene
SMILESCCCC1=NC=CN=C=C1
InChIInChI=1S/C8H10N2/c1-2-3-8-4-5-9-6-7-10-8/h4,6-7H,2-3H2,1H3
InChIKeyZYIJELRBCUTKPX-UHFFFAOYSA-N
XLogP1.94
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.18
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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2-ethyl-3H-pyrrole
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2-Hexylazete
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2-methyl-4,5-dihydro-3H-azepine
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2-Methylpyridine-3,4-diimine
CID 68113813
(Z)-3-N-methyl-1-N-methylidenepent-1-ene-1,3-diimine
CID 88570472
N-[(Z)-prop-1-enyl]pent-1-en-3-imine
CID 88892313
(Z)-2-(pent-1-en-3-ylideneamino)ethenamine
CID 88936606
(E)-3-ethenylimino-N,N-dimethylpent-1-en-1-amine
CID 88939004
(Z)-3-ethenyliminopent-1-en-1-amine
CID 89969593

Frequently Asked Questions

What is the IUPAC name of 5-propyl-1,4-diazacyclohepta-2,4,6,7-tetraene?
The IUPAC name of 5-propyl-1,4-diazacyclohepta-2,4,6,7-tetraene (CID 123658403) is 5-propyl-1,4-diazacyclohepta-2,4,6,7-tetraene.
What is the SMILES notation for 5-propyl-1,4-diazacyclohepta-2,4,6,7-tetraene?
The canonical SMILES for 5-propyl-1,4-diazacyclohepta-2,4,6,7-tetraene is CCCC1=NC=CN=C=C1.
What is the InChIKey of 5-propyl-1,4-diazacyclohepta-2,4,6,7-tetraene?
The InChIKey is ZYIJELRBCUTKPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2/c1-2-3-8-4-5-9-6-7-10-8/h4,6-7H,2-3H2,1H3.
What are the key properties of 5-propyl-1,4-diazacyclohepta-2,4,6,7-tetraene?
5-propyl-1,4-diazacyclohepta-2,4,6,7-tetraene has a molecular weight of 134.18 g/mol, XLogP of 1.94, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propyl-1,4-diazacyclohepta-2,4,6,7-tetraene is sourced from PubChem (CID 123658403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).