3-piperazin-1-yl-7H-imidazo[4,5-e][1,2,4]triazine

C8H11N7 — CID 175388860

IUPAC3-piperazin-1-yl-7H-imidazo[4,5-e][1,2,4]triazine
SMILESc1nc2nc(N3CCNCC3)nnc2[nH]1
InChIInChI=1S/C8H11N7/c1-3-15(4-2-9-1)8-12-6-7(13-14-8)11-5-10-6/h5,9H,1-4H2,(H,10,11,12,13,14)
InChIKeyHIUOZBYAWAFIOV-UHFFFAOYSA-N
MW205.22 g/mol
LogP-0.84
Rot. Bonds1

About 3-piperazin-1-yl-7H-imidazo[4,5-e][1,2,4]triazine

3-piperazin-1-yl-7H-imidazo[4,5-e][1,2,4]triazine (PubChem CID 175388860) has the molecular formula C8H11N7 and a molecular weight of 205.22 g/mol. Its IUPAC name is 3-piperazin-1-yl-7H-imidazo[4,5-e][1,2,4]triazine.

Molecular Properties

Compound Name3-piperazin-1-yl-7H-imidazo[4,5-e][1,2,4]triazine
PubChem CID175388860
Molecular FormulaC8H11N7
Molecular Weight205.22 g/mol
Exact Mass205.11
IUPAC Name3-piperazin-1-yl-7H-imidazo[4,5-e][1,2,4]triazine
SMILESc1nc2nc(N3CCNCC3)nnc2[nH]1
InChIInChI=1S/C8H11N7/c1-3-15(4-2-9-1)8-12-6-7(13-14-8)11-5-10-6/h5,9H,1-4H2,(H,10,11,12,13,14)
InChIKeyHIUOZBYAWAFIOV-UHFFFAOYSA-N
XLogP-0.84
TPSA82.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.22
LogP ≤ 5-0.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-piperazin-1-yl-7H-imidazo[4,5-e][1,2,4]triazine?
The IUPAC name of 3-piperazin-1-yl-7H-imidazo[4,5-e][1,2,4]triazine (CID 175388860) is 3-piperazin-1-yl-7H-imidazo[4,5-e][1,2,4]triazine.
What is the SMILES notation for 3-piperazin-1-yl-7H-imidazo[4,5-e][1,2,4]triazine?
The canonical SMILES for 3-piperazin-1-yl-7H-imidazo[4,5-e][1,2,4]triazine is c1nc2nc(N3CCNCC3)nnc2[nH]1.
What is the InChIKey of 3-piperazin-1-yl-7H-imidazo[4,5-e][1,2,4]triazine?
The InChIKey is HIUOZBYAWAFIOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N7/c1-3-15(4-2-9-1)8-12-6-7(13-14-8)11-5-10-6/h5,9H,1-4H2,(H,10,11,12,13,14).
What are the key properties of 3-piperazin-1-yl-7H-imidazo[4,5-e][1,2,4]triazine?
3-piperazin-1-yl-7H-imidazo[4,5-e][1,2,4]triazine has a molecular weight of 205.22 g/mol, XLogP of -0.84, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperazin-1-yl-7H-imidazo[4,5-e][1,2,4]triazine is sourced from PubChem (CID 175388860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).