4-N,4-N-diethyl-6-(2H-tetrazin-3-yl)-1,3,5-triazine-2,4-diamine

C9H15N9 — CID 6419257

IUPAC4-N,4-N-diethyl-6-(2H-tetrazin-3-yl)-1,3,5-triazine-2,4-diamine
SMILESCCN(CC)c1nc(N)nc(N2N=CC=NN2)n1
InChIInChI=1S/C9H15N9/c1-3-17(4-2)8-13-7(10)14-9(15-8)18-12-6-5-11-16-18/h5-6,16H,3-4H2,1-2H3,(H2,10,13,14,15)
InChIKeyNGFFVFUONJPTNJ-UHFFFAOYSA-N
MW249.28 g/mol
LogP-0.40
Rot. Bonds4

About 4-N,4-N-diethyl-6-(2H-tetrazin-3-yl)-1,3,5-triazine-2,4-diamine

4-N,4-N-diethyl-6-(2H-tetrazin-3-yl)-1,3,5-triazine-2,4-diamine (PubChem CID 6419257) has the molecular formula C9H15N9 and a molecular weight of 249.28 g/mol. Its IUPAC name is 4-N,4-N-diethyl-6-(2H-tetrazin-3-yl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name4-N,4-N-diethyl-6-(2H-tetrazin-3-yl)-1,3,5-triazine-2,4-diamine
PubChem CID6419257
Molecular FormulaC9H15N9
Molecular Weight249.28 g/mol
Exact Mass249.15
IUPAC Name4-N,4-N-diethyl-6-(2H-tetrazin-3-yl)-1,3,5-triazine-2,4-diamine
SMILESCCN(CC)c1nc(N)nc(N2N=CC=NN2)n1
InChIInChI=1S/C9H15N9/c1-3-17(4-2)8-13-7(10)14-9(15-8)18-12-6-5-11-16-18/h5-6,16H,3-4H2,1-2H3,(H2,10,13,14,15)
InChIKeyNGFFVFUONJPTNJ-UHFFFAOYSA-N
XLogP-0.40
TPSA107.92 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.28
LogP ≤ 5-0.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 4-N,4-N-diethyl-6-(2H-tetrazin-3-yl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 4-N,4-N-diethyl-6-(2H-tetrazin-3-yl)-1,3,5-triazine-2,4-diamine (CID 6419257) is 4-N,4-N-diethyl-6-(2H-tetrazin-3-yl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 4-N,4-N-diethyl-6-(2H-tetrazin-3-yl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 4-N,4-N-diethyl-6-(2H-tetrazin-3-yl)-1,3,5-triazine-2,4-diamine is CCN(CC)c1nc(N)nc(N2N=CC=NN2)n1.
What is the InChIKey of 4-N,4-N-diethyl-6-(2H-tetrazin-3-yl)-1,3,5-triazine-2,4-diamine?
The InChIKey is NGFFVFUONJPTNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N9/c1-3-17(4-2)8-13-7(10)14-9(15-8)18-12-6-5-11-16-18/h5-6,16H,3-4H2,1-2H3,(H2,10,13,14,15).
What are the key properties of 4-N,4-N-diethyl-6-(2H-tetrazin-3-yl)-1,3,5-triazine-2,4-diamine?
4-N,4-N-diethyl-6-(2H-tetrazin-3-yl)-1,3,5-triazine-2,4-diamine has a molecular weight of 249.28 g/mol, XLogP of -0.40, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,4-N-diethyl-6-(2H-tetrazin-3-yl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 6419257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).