5-[4-(2H-triazol-4-yl)-1,3,5-triazin-2-yl]tetrazine

C7H4N10 — CID 69427284

IUPAC5-[4-(2H-triazol-4-yl)-1,3,5-triazin-2-yl]tetrazine
SMILESc1nc(-c2cnnnn2)nc(-c2cn[nH]n2)n1
InChIInChI=1S/C7H4N10/c1-4(13-15-10-1)6-8-3-9-7(12-6)5-2-11-16-17-14-5/h1-3H,(H,10,13,15)
InChIKeyVXSOWTLNIODTAA-UHFFFAOYSA-N
MW228.18 g/mol
LogP-1.10
Rot. Bonds2

About 5-[4-(2H-triazol-4-yl)-1,3,5-triazin-2-yl]tetrazine

5-[4-(2H-triazol-4-yl)-1,3,5-triazin-2-yl]tetrazine (PubChem CID 69427284) has the molecular formula C7H4N10 and a molecular weight of 228.18 g/mol. Its IUPAC name is 5-[4-(2H-triazol-4-yl)-1,3,5-triazin-2-yl]tetrazine.

Molecular Properties

Compound Name5-[4-(2H-triazol-4-yl)-1,3,5-triazin-2-yl]tetrazine
PubChem CID69427284
Molecular FormulaC7H4N10
Molecular Weight228.18 g/mol
Exact Mass228.06
IUPAC Name5-[4-(2H-triazol-4-yl)-1,3,5-triazin-2-yl]tetrazine
SMILESc1nc(-c2cnnnn2)nc(-c2cn[nH]n2)n1
InChIInChI=1S/C7H4N10/c1-4(13-15-10-1)6-8-3-9-7(12-6)5-2-11-16-17-14-5/h1-3H,(H,10,13,15)
InChIKeyVXSOWTLNIODTAA-UHFFFAOYSA-N
XLogP-1.10
TPSA131.80 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.18
LogP ≤ 5-1.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(2H-triazol-4-yl)-1,3,5-triazin-2-yl]tetrazine?
The IUPAC name of 5-[4-(2H-triazol-4-yl)-1,3,5-triazin-2-yl]tetrazine (CID 69427284) is 5-[4-(2H-triazol-4-yl)-1,3,5-triazin-2-yl]tetrazine.
What is the SMILES notation for 5-[4-(2H-triazol-4-yl)-1,3,5-triazin-2-yl]tetrazine?
The canonical SMILES for 5-[4-(2H-triazol-4-yl)-1,3,5-triazin-2-yl]tetrazine is c1nc(-c2cnnnn2)nc(-c2cn[nH]n2)n1.
What is the InChIKey of 5-[4-(2H-triazol-4-yl)-1,3,5-triazin-2-yl]tetrazine?
The InChIKey is VXSOWTLNIODTAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4N10/c1-4(13-15-10-1)6-8-3-9-7(12-6)5-2-11-16-17-14-5/h1-3H,(H,10,13,15).
What are the key properties of 5-[4-(2H-triazol-4-yl)-1,3,5-triazin-2-yl]tetrazine?
5-[4-(2H-triazol-4-yl)-1,3,5-triazin-2-yl]tetrazine has a molecular weight of 228.18 g/mol, XLogP of -1.10, 2 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(2H-triazol-4-yl)-1,3,5-triazin-2-yl]tetrazine is sourced from PubChem (CID 69427284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).