N-(2-bromoethyl)-[1,2,4]triazolo[4,3-a]pyrazine-6-carboxamide

C8H8BrN5O — CID 164653444

IUPACN-(2-bromoethyl)-[1,2,4]triazolo[4,3-a]pyrazine-6-carboxamide
SMILESO=C(NCCBr)c1cn2cnnc2cn1
InChIInChI=1S/C8H8BrN5O/c9-1-2-10-8(15)6-4-14-5-12-13-7(14)3-11-6/h3-5H,1-2H2,(H,10,15)
InChIKeyLJGVAPNUNBLADX-UHFFFAOYSA-N
MW270.09 g/mol
LogP0.25
Rot. Bonds3

About N-(2-bromoethyl)-[1,2,4]triazolo[4,3-a]pyrazine-6-carboxamide

N-(2-bromoethyl)-[1,2,4]triazolo[4,3-a]pyrazine-6-carboxamide (PubChem CID 164653444) has the molecular formula C8H8BrN5O and a molecular weight of 270.09 g/mol. Its IUPAC name is N-(2-bromoethyl)-[1,2,4]triazolo[4,3-a]pyrazine-6-carboxamide.

Molecular Properties

Compound NameN-(2-bromoethyl)-[1,2,4]triazolo[4,3-a]pyrazine-6-carboxamide
PubChem CID164653444
Molecular FormulaC8H8BrN5O
Molecular Weight270.09 g/mol
Exact Mass268.99
IUPAC NameN-(2-bromoethyl)-[1,2,4]triazolo[4,3-a]pyrazine-6-carboxamide
SMILESO=C(NCCBr)c1cn2cnnc2cn1
InChIInChI=1S/C8H8BrN5O/c9-1-2-10-8(15)6-4-14-5-12-13-7(14)3-11-6/h3-5H,1-2H2,(H,10,15)
InChIKeyLJGVAPNUNBLADX-UHFFFAOYSA-N
XLogP0.25
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.09
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2-chloroethyl)-[1,2,4]triazolo[4,3-a]pyrazine-6-carboxamide
CID 164653443
[1,2,4]triazolo[4,3-a]pyrazine-6-carbonyl chloride
CID 164660705
N-[3-[(2S)-1-[2-(3-cyanocyclopentyl)acetyl]pyrrolidin-2-yl]propyl]-[1,2,4]triazolo[4,3-a]pyrazine-6-carboxamide
CID 155969105
N-(1-hydroxy-4-pyridin-4-ylbutan-2-yl)-[1,2,4]triazolo[4,3-a]pyrazine-6-carboxamide
CID 166334726
(E)-1-[(Z)-[(Z)-2-([1,2,4]triazolo[4,3-a]pyrazin-6-yl)but-2-enylidene]amino]prop-1-en-1-ol
CID 169263170
N-(2-bromoethyl)pyridine-2-carboxamide
CID 12983473
N-(2-bromoethyl)-2-methyl-1,3-thiazole-4-carboxamide
CID 65198942
N-methoxy-N-(7-methyl-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)-[1,2,4]triazolo[4,3-a]pyrazine-6-carboxamide
CID 167960160
N-(2-methoxyethyl)-[1,2,4]triazolo[4,3-a]quinoxaline-7-carboxamide
CID 69415230
N-[[4-(2-pyrrolidin-1-ylethylcarbamoyl)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 166180288
[1,2,4]triazolo[4,3-a]pyridin-6-ylcarbamic acid
CID 66623612
1-methyl-N-[2-(4-methylimidazol-1-yl)ethyl]imidazole-4-carboxamide
CID 134372971

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoethyl)-[1,2,4]triazolo[4,3-a]pyrazine-6-carboxamide?
The IUPAC name of N-(2-bromoethyl)-[1,2,4]triazolo[4,3-a]pyrazine-6-carboxamide (CID 164653444) is N-(2-bromoethyl)-[1,2,4]triazolo[4,3-a]pyrazine-6-carboxamide.
What is the SMILES notation for N-(2-bromoethyl)-[1,2,4]triazolo[4,3-a]pyrazine-6-carboxamide?
The canonical SMILES for N-(2-bromoethyl)-[1,2,4]triazolo[4,3-a]pyrazine-6-carboxamide is O=C(NCCBr)c1cn2cnnc2cn1.
What is the InChIKey of N-(2-bromoethyl)-[1,2,4]triazolo[4,3-a]pyrazine-6-carboxamide?
The InChIKey is LJGVAPNUNBLADX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrN5O/c9-1-2-10-8(15)6-4-14-5-12-13-7(14)3-11-6/h3-5H,1-2H2,(H,10,15).
What are the key properties of N-(2-bromoethyl)-[1,2,4]triazolo[4,3-a]pyrazine-6-carboxamide?
N-(2-bromoethyl)-[1,2,4]triazolo[4,3-a]pyrazine-6-carboxamide has a molecular weight of 270.09 g/mol, XLogP of 0.25, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoethyl)-[1,2,4]triazolo[4,3-a]pyrazine-6-carboxamide is sourced from PubChem (CID 164653444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).