3-N,6-N-bis(4-methylpentan-2-yl)-1,2,4,5-tetrazine-3,6-diamine

C14H28N6 — CID 171819651

IUPAC3-N,6-N-bis(4-methylpentan-2-yl)-1,2,4,5-tetrazine-3,6-diamine
SMILESCC(C)CC(C)Nc1nnc(NC(C)CC(C)C)nn1
InChIInChI=1S/C14H28N6/c1-9(2)7-11(5)15-13-17-19-14(20-18-13)16-12(6)8-10(3)4/h9-12H,7-8H2,1-6H3,(H,15,17,18)(H,16,19,20)
InChIKeyGQHKHIANWATLHA-UHFFFAOYSA-N
MW280.42 g/mol
LogP2.96
Rot. Bonds8

About 3-N,6-N-bis(4-methylpentan-2-yl)-1,2,4,5-tetrazine-3,6-diamine

3-N,6-N-bis(4-methylpentan-2-yl)-1,2,4,5-tetrazine-3,6-diamine (PubChem CID 171819651) has the molecular formula C14H28N6 and a molecular weight of 280.42 g/mol. Its IUPAC name is 3-N,6-N-bis(4-methylpentan-2-yl)-1,2,4,5-tetrazine-3,6-diamine.

Molecular Properties

Compound Name3-N,6-N-bis(4-methylpentan-2-yl)-1,2,4,5-tetrazine-3,6-diamine
PubChem CID171819651
Molecular FormulaC14H28N6
Molecular Weight280.42 g/mol
Exact Mass280.24
IUPAC Name3-N,6-N-bis(4-methylpentan-2-yl)-1,2,4,5-tetrazine-3,6-diamine
SMILESCC(C)CC(C)Nc1nnc(NC(C)CC(C)C)nn1
InChIInChI=1S/C14H28N6/c1-9(2)7-11(5)15-13-17-19-14(20-18-13)16-12(6)8-10(3)4/h9-12H,7-8H2,1-6H3,(H,15,17,18)(H,16,19,20)
InChIKeyGQHKHIANWATLHA-UHFFFAOYSA-N
XLogP2.96
TPSA75.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-N,6-N-bis(4-methylpentan-2-yl)-1,2,4,5-tetrazine-3,6-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-N,6-N-bis(4-methylpentan-2-yl)-1,2,4,5-tetrazine-3,6-diamine?
The IUPAC name of 3-N,6-N-bis(4-methylpentan-2-yl)-1,2,4,5-tetrazine-3,6-diamine (CID 171819651) is 3-N,6-N-bis(4-methylpentan-2-yl)-1,2,4,5-tetrazine-3,6-diamine.
What is the SMILES notation for 3-N,6-N-bis(4-methylpentan-2-yl)-1,2,4,5-tetrazine-3,6-diamine?
The canonical SMILES for 3-N,6-N-bis(4-methylpentan-2-yl)-1,2,4,5-tetrazine-3,6-diamine is CC(C)CC(C)Nc1nnc(NC(C)CC(C)C)nn1.
What is the InChIKey of 3-N,6-N-bis(4-methylpentan-2-yl)-1,2,4,5-tetrazine-3,6-diamine?
The InChIKey is GQHKHIANWATLHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N6/c1-9(2)7-11(5)15-13-17-19-14(20-18-13)16-12(6)8-10(3)4/h9-12H,7-8H2,1-6H3,(H,15,17,18)(H,16,19,20).
What are the key properties of 3-N,6-N-bis(4-methylpentan-2-yl)-1,2,4,5-tetrazine-3,6-diamine?
3-N,6-N-bis(4-methylpentan-2-yl)-1,2,4,5-tetrazine-3,6-diamine has a molecular weight of 280.42 g/mol, XLogP of 2.96, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N,6-N-bis(4-methylpentan-2-yl)-1,2,4,5-tetrazine-3,6-diamine is sourced from PubChem (CID 171819651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).