5-[4-(1H-1,2,4-triazol-5-yl)triazol-4-yl]-2H-tetrazole

C5H4N10 — CID 91074925

IUPAC5-[4-(1H-1,2,4-triazol-5-yl)triazol-4-yl]-2H-tetrazole
SMILESC1=NN=NC1(c1nn[nH]n1)c1ncn[nH]1
InChIInChI=1S/C5H4N10/c1-5(12-13-7-1,3-6-2-8-9-3)4-10-14-15-11-4/h1-2H,(H,6,8,9)(H,10,11,14,15)
InChIKeyIOFGMXSKHLXZFD-UHFFFAOYSA-N
MW204.16 g/mol
LogP-0.99
Rot. Bonds2

About 5-[4-(1H-1,2,4-triazol-5-yl)triazol-4-yl]-2H-tetrazole

5-[4-(1H-1,2,4-triazol-5-yl)triazol-4-yl]-2H-tetrazole (PubChem CID 91074925) has the molecular formula C5H4N10 and a molecular weight of 204.16 g/mol. Its IUPAC name is 5-[4-(1H-1,2,4-triazol-5-yl)triazol-4-yl]-2H-tetrazole.

Molecular Properties

Compound Name5-[4-(1H-1,2,4-triazol-5-yl)triazol-4-yl]-2H-tetrazole
PubChem CID91074925
Molecular FormulaC5H4N10
Molecular Weight204.16 g/mol
Exact Mass204.06
IUPAC Name5-[4-(1H-1,2,4-triazol-5-yl)triazol-4-yl]-2H-tetrazole
SMILESC1=NN=NC1(c1nn[nH]n1)c1ncn[nH]1
InChIInChI=1S/C5H4N10/c1-5(12-13-7-1,3-6-2-8-9-3)4-10-14-15-11-4/h1-2H,(H,6,8,9)(H,10,11,14,15)
InChIKeyIOFGMXSKHLXZFD-UHFFFAOYSA-N
XLogP-0.99
TPSA133.11 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.16
LogP ≤ 5-0.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(1H-1,2,4-triazol-5-yl)triazol-4-yl]-2H-tetrazole?
The IUPAC name of 5-[4-(1H-1,2,4-triazol-5-yl)triazol-4-yl]-2H-tetrazole (CID 91074925) is 5-[4-(1H-1,2,4-triazol-5-yl)triazol-4-yl]-2H-tetrazole.
What is the SMILES notation for 5-[4-(1H-1,2,4-triazol-5-yl)triazol-4-yl]-2H-tetrazole?
The canonical SMILES for 5-[4-(1H-1,2,4-triazol-5-yl)triazol-4-yl]-2H-tetrazole is C1=NN=NC1(c1nn[nH]n1)c1ncn[nH]1.
What is the InChIKey of 5-[4-(1H-1,2,4-triazol-5-yl)triazol-4-yl]-2H-tetrazole?
The InChIKey is IOFGMXSKHLXZFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4N10/c1-5(12-13-7-1,3-6-2-8-9-3)4-10-14-15-11-4/h1-2H,(H,6,8,9)(H,10,11,14,15).
What are the key properties of 5-[4-(1H-1,2,4-triazol-5-yl)triazol-4-yl]-2H-tetrazole?
5-[4-(1H-1,2,4-triazol-5-yl)triazol-4-yl]-2H-tetrazole has a molecular weight of 204.16 g/mol, XLogP of -0.99, 2 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(1H-1,2,4-triazol-5-yl)triazol-4-yl]-2H-tetrazole is sourced from PubChem (CID 91074925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).