3-N,6-N-dihexyl-1,2,4,5-tetrazine-3,6-diamine

C14H28N6 — CID 10612793

IUPAC3-N,6-N-dihexyl-1,2,4,5-tetrazine-3,6-diamine
SMILESCCCCCCNc1nnc(NCCCCCC)nn1
InChIInChI=1S/C14H28N6/c1-3-5-7-9-11-15-13-17-19-14(20-18-13)16-12-10-8-6-4-2/h3-12H2,1-2H3,(H,15,17,18)(H,16,19,20)
InChIKeyNIDUEXFKBVOLAT-UHFFFAOYSA-N
MW280.42 g/mol
LogP3.25
Rot. Bonds12

About 3-N,6-N-dihexyl-1,2,4,5-tetrazine-3,6-diamine

3-N,6-N-dihexyl-1,2,4,5-tetrazine-3,6-diamine (PubChem CID 10612793) has the molecular formula C14H28N6 and a molecular weight of 280.42 g/mol. Its IUPAC name is 3-N,6-N-dihexyl-1,2,4,5-tetrazine-3,6-diamine.

Molecular Properties

Compound Name3-N,6-N-dihexyl-1,2,4,5-tetrazine-3,6-diamine
PubChem CID10612793
Molecular FormulaC14H28N6
Molecular Weight280.42 g/mol
Exact Mass280.24
IUPAC Name3-N,6-N-dihexyl-1,2,4,5-tetrazine-3,6-diamine
SMILESCCCCCCNc1nnc(NCCCCCC)nn1
InChIInChI=1S/C14H28N6/c1-3-5-7-9-11-15-13-17-19-14(20-18-13)16-12-10-8-6-4-2/h3-12H2,1-2H3,(H,15,17,18)(H,16,19,20)
InChIKeyNIDUEXFKBVOLAT-UHFFFAOYSA-N
XLogP3.25
TPSA75.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_6_tetrazine(18)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N,N'-Dicyclohexyl-1,2,4,5-tetrazine-3,6-diamine
CID 557788
N,N'-diisopropyl-1,2,4,5-tetrazine-3,6-diamine
CID 125501068
N,N'-dicyclopentyl-1,2,4,5-tetrazine-3,6-diamine
CID 129874359
3,6-Di(heptylamino)-1,2,4,5-tetrazine
CID 134824144
N-Hexyl-6-(methylsulfanyl)-1,2,4,5-tetrazin-3-amine
CID 53904183
3-N,6-N-bis(5-methylhexan-2-yl)-1,2,4,5-tetrazine-3,6-diamine
CID 171819438
3-N,6-N-bis(4-methylpentan-2-yl)-1,2,4,5-tetrazine-3,6-diamine
CID 171819651
N-butyl-6-chloro-1,2,4,5-tetrazin-3-amine
CID 85875168
6-methylsulfanyl-N-octyl-1,2,4,5-tetrazin-3-amine
CID 86160078
N'-(6-methylsulfanyl-1,2,4,5-tetrazin-3-yl)hexane-1,6-diamine
CID 110192062
N-dodecyl-6-methylsulfanyl-1,2,4,5-tetrazin-3-amine
CID 110192063
3-N,6-N-bis[(2R)-butan-2-yl]-1,2,4,5-tetrazine-3,6-diamine
CID 125501100

Frequently Asked Questions

What is the IUPAC name of 3-N,6-N-dihexyl-1,2,4,5-tetrazine-3,6-diamine?
The IUPAC name of 3-N,6-N-dihexyl-1,2,4,5-tetrazine-3,6-diamine (CID 10612793) is 3-N,6-N-dihexyl-1,2,4,5-tetrazine-3,6-diamine.
What is the SMILES notation for 3-N,6-N-dihexyl-1,2,4,5-tetrazine-3,6-diamine?
The canonical SMILES for 3-N,6-N-dihexyl-1,2,4,5-tetrazine-3,6-diamine is CCCCCCNc1nnc(NCCCCCC)nn1.
What is the InChIKey of 3-N,6-N-dihexyl-1,2,4,5-tetrazine-3,6-diamine?
The InChIKey is NIDUEXFKBVOLAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N6/c1-3-5-7-9-11-15-13-17-19-14(20-18-13)16-12-10-8-6-4-2/h3-12H2,1-2H3,(H,15,17,18)(H,16,19,20).
What are the key properties of 3-N,6-N-dihexyl-1,2,4,5-tetrazine-3,6-diamine?
3-N,6-N-dihexyl-1,2,4,5-tetrazine-3,6-diamine has a molecular weight of 280.42 g/mol, XLogP of 3.25, 12 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N,6-N-dihexyl-1,2,4,5-tetrazine-3,6-diamine is sourced from PubChem (CID 10612793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).