5-tert-butyl-1,2,3-triaza-4-azanidacyclopenta-2,5-diene

C5H9N4- — CID 28600161

IUPAC5-tert-butyl-1,2,3-triaza-4-azanidacyclopenta-2,5-diene
SMILESCC(C)(C)c1nnn[n-]1
InChIInChI=1S/C5H9N4/c1-5(2,3)4-6-8-9-7-4/h1-3H3/q-1
InChIKeyDPUATFGQTIUGCG-UHFFFAOYSA-N
MW125.15 g/mol
LogP0.13
Rot. Bonds

About 5-tert-butyl-1,2,3-triaza-4-azanidacyclopenta-2,5-diene

5-tert-butyl-1,2,3-triaza-4-azanidacyclopenta-2,5-diene (PubChem CID 28600161) has the molecular formula C5H9N4- and a molecular weight of 125.15 g/mol. Its IUPAC name is 5-tert-butyl-1,2,3-triaza-4-azanidacyclopenta-2,5-diene.

Molecular Properties

Compound Name5-tert-butyl-1,2,3-triaza-4-azanidacyclopenta-2,5-diene
PubChem CID28600161
Molecular FormulaC5H9N4-
Molecular Weight125.15 g/mol
Exact Mass125.08
IUPAC Name5-tert-butyl-1,2,3-triaza-4-azanidacyclopenta-2,5-diene
SMILESCC(C)(C)c1nnn[n-]1
InChIInChI=1S/C5H9N4/c1-5(2,3)4-6-8-9-7-4/h1-3H3/q-1
InChIKeyDPUATFGQTIUGCG-UHFFFAOYSA-N
XLogP0.13
TPSA52.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.15
LogP ≤ 50.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-1,2,3-triaza-4-azanidacyclopenta-2,5-diene?
The IUPAC name of 5-tert-butyl-1,2,3-triaza-4-azanidacyclopenta-2,5-diene (CID 28600161) is 5-tert-butyl-1,2,3-triaza-4-azanidacyclopenta-2,5-diene.
What is the SMILES notation for 5-tert-butyl-1,2,3-triaza-4-azanidacyclopenta-2,5-diene?
The canonical SMILES for 5-tert-butyl-1,2,3-triaza-4-azanidacyclopenta-2,5-diene is CC(C)(C)c1nnn[n-]1.
What is the InChIKey of 5-tert-butyl-1,2,3-triaza-4-azanidacyclopenta-2,5-diene?
The InChIKey is DPUATFGQTIUGCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N4/c1-5(2,3)4-6-8-9-7-4/h1-3H3/q-1.
What are the key properties of 5-tert-butyl-1,2,3-triaza-4-azanidacyclopenta-2,5-diene?
5-tert-butyl-1,2,3-triaza-4-azanidacyclopenta-2,5-diene has a molecular weight of 125.15 g/mol, XLogP of 0.13, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-1,2,3-triaza-4-azanidacyclopenta-2,5-diene is sourced from PubChem (CID 28600161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).