N-[[6-(ethylaminomethyl)-1,2,4,5-tetrazin-3-yl]methyl]ethanamine

C8H16N6 — CID 71476444

IUPACN-[[6-(ethylaminomethyl)-1,2,4,5-tetrazin-3-yl]methyl]ethanamine
SMILESCCNCc1nnc(CNCC)nn1
InChIInChI=1S/C8H16N6/c1-3-9-5-7-11-13-8(14-12-7)6-10-4-2/h9-10H,3-6H2,1-2H3
InChIKeyCCJJNBXEFLOJJF-UHFFFAOYSA-N
MW196.26 g/mol
LogP-0.51
Rot. Bonds6

About N-[[6-(ethylaminomethyl)-1,2,4,5-tetrazin-3-yl]methyl]ethanamine

N-[[6-(ethylaminomethyl)-1,2,4,5-tetrazin-3-yl]methyl]ethanamine (PubChem CID 71476444) has the molecular formula C8H16N6 and a molecular weight of 196.26 g/mol. Its IUPAC name is N-[[6-(ethylaminomethyl)-1,2,4,5-tetrazin-3-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[6-(ethylaminomethyl)-1,2,4,5-tetrazin-3-yl]methyl]ethanamine
PubChem CID71476444
Molecular FormulaC8H16N6
Molecular Weight196.26 g/mol
Exact Mass196.14
IUPAC NameN-[[6-(ethylaminomethyl)-1,2,4,5-tetrazin-3-yl]methyl]ethanamine
SMILESCCNCc1nnc(CNCC)nn1
InChIInChI=1S/C8H16N6/c1-3-9-5-7-11-13-8(14-12-7)6-10-4-2/h9-10H,3-6H2,1-2H3
InChIKeyCCJJNBXEFLOJJF-UHFFFAOYSA-N
XLogP-0.51
TPSA75.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.26
LogP ≤ 5-0.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[6-(ethylaminomethyl)-1,2,4,5-tetrazin-3-yl]methyl]ethanamine?
The IUPAC name of N-[[6-(ethylaminomethyl)-1,2,4,5-tetrazin-3-yl]methyl]ethanamine (CID 71476444) is N-[[6-(ethylaminomethyl)-1,2,4,5-tetrazin-3-yl]methyl]ethanamine.
What is the SMILES notation for N-[[6-(ethylaminomethyl)-1,2,4,5-tetrazin-3-yl]methyl]ethanamine?
The canonical SMILES for N-[[6-(ethylaminomethyl)-1,2,4,5-tetrazin-3-yl]methyl]ethanamine is CCNCc1nnc(CNCC)nn1.
What is the InChIKey of N-[[6-(ethylaminomethyl)-1,2,4,5-tetrazin-3-yl]methyl]ethanamine?
The InChIKey is CCJJNBXEFLOJJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N6/c1-3-9-5-7-11-13-8(14-12-7)6-10-4-2/h9-10H,3-6H2,1-2H3.
What are the key properties of N-[[6-(ethylaminomethyl)-1,2,4,5-tetrazin-3-yl]methyl]ethanamine?
N-[[6-(ethylaminomethyl)-1,2,4,5-tetrazin-3-yl]methyl]ethanamine has a molecular weight of 196.26 g/mol, XLogP of -0.51, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(ethylaminomethyl)-1,2,4,5-tetrazin-3-yl]methyl]ethanamine is sourced from PubChem (CID 71476444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).