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

C8H8ClN5O — CID 164653443

IUPACN-(2-chloroethyl)-[1,2,4]triazolo[4,3-a]pyrazine-6-carboxamide
SMILESO=C(NCCCl)c1cn2cnnc2cn1
InChIInChI=1S/C8H8ClN5O/c9-1-2-10-8(15)6-4-14-5-12-13-7(14)3-11-6/h3-5H,1-2H2,(H,10,15)
InChIKeyLXZIFFVGJJZNRM-UHFFFAOYSA-N
MW225.64 g/mol
LogP0.09
Rot. Bonds3

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

N-(2-chloroethyl)-[1,2,4]triazolo[4,3-a]pyrazine-6-carboxamide (PubChem CID 164653443) has the molecular formula C8H8ClN5O and a molecular weight of 225.64 g/mol. Its IUPAC name is N-(2-chloroethyl)-[1,2,4]triazolo[4,3-a]pyrazine-6-carboxamide.

Molecular Properties

Compound NameN-(2-chloroethyl)-[1,2,4]triazolo[4,3-a]pyrazine-6-carboxamide
PubChem CID164653443
Molecular FormulaC8H8ClN5O
Molecular Weight225.64 g/mol
Exact Mass225.04
IUPAC NameN-(2-chloroethyl)-[1,2,4]triazolo[4,3-a]pyrazine-6-carboxamide
SMILESO=C(NCCCl)c1cn2cnnc2cn1
InChIInChI=1S/C8H8ClN5O/c9-1-2-10-8(15)6-4-14-5-12-13-7(14)3-11-6/h3-5H,1-2H2,(H,10,15)
InChIKeyLXZIFFVGJJZNRM-UHFFFAOYSA-N
XLogP0.09
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.64
LogP ≤ 50.09
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-bromoethyl)-[1,2,4]triazolo[4,3-a]pyrazine-6-carboxamide
CID 164653444
[1,2,4]triazolo[4,3-a]pyrazine-6-carbonyl chloride
CID 164660705
N-(1-hydroxy-4-pyridin-4-ylbutan-2-yl)-[1,2,4]triazolo[4,3-a]pyrazine-6-carboxamide
CID 166334726
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-(4-chlorobutyl)-5-fluoropyridine-2-carboxamide
CID 106845244
N-[2-(carbamoylamino)ethyl]-5-chloropyrazine-2-carboxamide
CID 107372160
N-(4-chlorobutyl)-2H-triazole-4-carboxamide
CID 106845435
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-methyl-N-[2-(4-methylimidazol-1-yl)ethyl]imidazole-4-carboxamide
CID 134372971
N-[3-(4-chloropyrazol-1-yl)propyl]-1-methylimidazole-4-carboxamide
CID 118781993
5-chloro-N-(4-iodobutyl)pyridine-2-carboxamide
CID 106846441

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethyl)-[1,2,4]triazolo[4,3-a]pyrazine-6-carboxamide?
The IUPAC name of N-(2-chloroethyl)-[1,2,4]triazolo[4,3-a]pyrazine-6-carboxamide (CID 164653443) is N-(2-chloroethyl)-[1,2,4]triazolo[4,3-a]pyrazine-6-carboxamide.
What is the SMILES notation for N-(2-chloroethyl)-[1,2,4]triazolo[4,3-a]pyrazine-6-carboxamide?
The canonical SMILES for N-(2-chloroethyl)-[1,2,4]triazolo[4,3-a]pyrazine-6-carboxamide is O=C(NCCCl)c1cn2cnnc2cn1.
What is the InChIKey of N-(2-chloroethyl)-[1,2,4]triazolo[4,3-a]pyrazine-6-carboxamide?
The InChIKey is LXZIFFVGJJZNRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClN5O/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-chloroethyl)-[1,2,4]triazolo[4,3-a]pyrazine-6-carboxamide?
N-(2-chloroethyl)-[1,2,4]triazolo[4,3-a]pyrazine-6-carboxamide has a molecular weight of 225.64 g/mol, XLogP of 0.09, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethyl)-[1,2,4]triazolo[4,3-a]pyrazine-6-carboxamide is sourced from PubChem (CID 164653443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).