3-(1-bromopiperidin-4-yl)-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide

C10H12BrN7O2 — CID 89009508

IUPAC3-(1-bromopiperidin-4-yl)-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide
SMILESNC(=O)c1ncn2c(=O)n(C3CCN(Br)CC3)nnc12
InChIInChI=1S/C10H12BrN7O2/c11-16-3-1-6(2-4-16)18-10(20)17-5-13-7(8(12)19)9(17)14-15-18/h5-6H,1-4H2,(H2,12,19)
InChIKeyIHZRXRNCDZLZRN-UHFFFAOYSA-N
MW342.16 g/mol
LogP-0.67
Rot. Bonds2

About 3-(1-bromopiperidin-4-yl)-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide

3-(1-bromopiperidin-4-yl)-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide (PubChem CID 89009508) has the molecular formula C10H12BrN7O2 and a molecular weight of 342.16 g/mol. Its IUPAC name is 3-(1-bromopiperidin-4-yl)-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide.

Molecular Properties

Compound Name3-(1-bromopiperidin-4-yl)-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide
PubChem CID89009508
Molecular FormulaC10H12BrN7O2
Molecular Weight342.16 g/mol
Exact Mass341.02
IUPAC Name3-(1-bromopiperidin-4-yl)-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide
SMILESNC(=O)c1ncn2c(=O)n(C3CCN(Br)CC3)nnc12
InChIInChI=1S/C10H12BrN7O2/c11-16-3-1-6(2-4-16)18-10(20)17-5-13-7(8(12)19)9(17)14-15-18/h5-6H,1-4H2,(H2,12,19)
InChIKeyIHZRXRNCDZLZRN-UHFFFAOYSA-N
XLogP-0.67
TPSA111.41 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.16
LogP ≤ 5-0.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(1-bromopiperidin-4-yl)-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide?
The IUPAC name of 3-(1-bromopiperidin-4-yl)-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide (CID 89009508) is 3-(1-bromopiperidin-4-yl)-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide.
What is the SMILES notation for 3-(1-bromopiperidin-4-yl)-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide?
The canonical SMILES for 3-(1-bromopiperidin-4-yl)-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide is NC(=O)c1ncn2c(=O)n(C3CCN(Br)CC3)nnc12.
What is the InChIKey of 3-(1-bromopiperidin-4-yl)-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide?
The InChIKey is IHZRXRNCDZLZRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrN7O2/c11-16-3-1-6(2-4-16)18-10(20)17-5-13-7(8(12)19)9(17)14-15-18/h5-6H,1-4H2,(H2,12,19).
What are the key properties of 3-(1-bromopiperidin-4-yl)-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide?
3-(1-bromopiperidin-4-yl)-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide has a molecular weight of 342.16 g/mol, XLogP of -0.67, 2 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-bromopiperidin-4-yl)-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide is sourced from PubChem (CID 89009508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).