6-tert-butyl-1,2,4,5-tetrazin-3-amine

C6H11N5 — CID 10953726

IUPAC6-tert-butyl-1,2,4,5-tetrazin-3-amine
SMILESCC(C)(C)c1nnc(N)nn1
InChIInChI=1S/C6H11N5/c1-6(2,3)4-8-10-5(7)11-9-4/h1-3H3,(H2,7,10,11)
InChIKeyGZVJELRWUGTDKZ-UHFFFAOYSA-N
MW153.19 g/mol
LogP0.15
Rot. Bonds

About 6-tert-butyl-1,2,4,5-tetrazin-3-amine

6-tert-butyl-1,2,4,5-tetrazin-3-amine (PubChem CID 10953726) has the molecular formula C6H11N5 and a molecular weight of 153.19 g/mol. Its IUPAC name is 6-tert-butyl-1,2,4,5-tetrazin-3-amine.

Molecular Properties

Compound Name6-tert-butyl-1,2,4,5-tetrazin-3-amine
PubChem CID10953726
Molecular FormulaC6H11N5
Molecular Weight153.19 g/mol
Exact Mass153.10
IUPAC Name6-tert-butyl-1,2,4,5-tetrazin-3-amine
SMILESCC(C)(C)c1nnc(N)nn1
InChIInChI=1S/C6H11N5/c1-6(2,3)4-8-10-5(7)11-9-4/h1-3H3,(H2,7,10,11)
InChIKeyGZVJELRWUGTDKZ-UHFFFAOYSA-N
XLogP0.15
TPSA77.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.19
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-1,2,4,5-tetrazin-3-amine?
The IUPAC name of 6-tert-butyl-1,2,4,5-tetrazin-3-amine (CID 10953726) is 6-tert-butyl-1,2,4,5-tetrazin-3-amine.
What is the SMILES notation for 6-tert-butyl-1,2,4,5-tetrazin-3-amine?
The canonical SMILES for 6-tert-butyl-1,2,4,5-tetrazin-3-amine is CC(C)(C)c1nnc(N)nn1.
What is the InChIKey of 6-tert-butyl-1,2,4,5-tetrazin-3-amine?
The InChIKey is GZVJELRWUGTDKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N5/c1-6(2,3)4-8-10-5(7)11-9-4/h1-3H3,(H2,7,10,11).
What are the key properties of 6-tert-butyl-1,2,4,5-tetrazin-3-amine?
6-tert-butyl-1,2,4,5-tetrazin-3-amine has a molecular weight of 153.19 g/mol, XLogP of 0.15, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-1,2,4,5-tetrazin-3-amine is sourced from PubChem (CID 10953726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).