N-(3-chloropyrazin-2-yl)but-2-ynamide

C8H6ClN3O — CID 107996159

IUPACN-(3-chloropyrazin-2-yl)but-2-ynamide
SMILESCC#CC(=O)Nc1nccnc1Cl
InChIInChI=1S/C8H6ClN3O/c1-2-3-6(13)12-8-7(9)10-4-5-11-8/h4-5H,1H3,(H,11,12,13)
InChIKeyKAYVJPPFFYFXJD-UHFFFAOYSA-N
MW195.61 g/mol
LogP1.09
Rot. Bonds1

About N-(3-chloropyrazin-2-yl)but-2-ynamide

N-(3-chloropyrazin-2-yl)but-2-ynamide (PubChem CID 107996159) has the molecular formula C8H6ClN3O and a molecular weight of 195.61 g/mol. Its IUPAC name is N-(3-chloropyrazin-2-yl)but-2-ynamide.

Molecular Properties

Compound NameN-(3-chloropyrazin-2-yl)but-2-ynamide
PubChem CID107996159
Molecular FormulaC8H6ClN3O
Molecular Weight195.61 g/mol
Exact Mass195.02
IUPAC NameN-(3-chloropyrazin-2-yl)but-2-ynamide
SMILESCC#CC(=O)Nc1nccnc1Cl
InChIInChI=1S/C8H6ClN3O/c1-2-3-6(13)12-8-7(9)10-4-5-11-8/h4-5H,1H3,(H,11,12,13)
InChIKeyKAYVJPPFFYFXJD-UHFFFAOYSA-N
XLogP1.09
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.61
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-bromo-2-pyridinyl)but-2-ynamide
CID 107987937
N-(3-chloropyrazin-2-yl)-2,3-dimethylbutanamide
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N-(3-chloropyrazin-2-yl)prop-2-enamide
CID 102989286
1-[(3-chloropyrazin-2-yl)amino]propan-2-one
CID 15149679
N-(3-chloropyrazin-2-yl)-2-(4-methylphenyl)acetamide
CID 113228993
N-(1H-pyrazol-4-yl)but-2-ynamide;hydrochloride
CID 155820287
5-chloro-N-(3-chloropyrazin-2-yl)-2-methylbenzamide
CID 102989278
N-(3-chloropyrazin-2-yl)-4-methyl-1,2-oxazole-5-carboxamide
CID 102989712
N-(3-chloropyrazin-2-yl)-1,2-oxazole-3-carboxamide
CID 102989094
N-(3-chloropyrazin-2-yl)-1H-pyrazole-5-carboxamide
CID 102989436
N-(3-chloropyrazin-2-yl)pyridazine-4-carboxamide
CID 102989245
N'-(3-chloropyrazin-2-yl)propanehydrazide
CID 127012228

Frequently Asked Questions

What is the IUPAC name of N-(3-chloropyrazin-2-yl)but-2-ynamide?
The IUPAC name of N-(3-chloropyrazin-2-yl)but-2-ynamide (CID 107996159) is N-(3-chloropyrazin-2-yl)but-2-ynamide.
What is the SMILES notation for N-(3-chloropyrazin-2-yl)but-2-ynamide?
The canonical SMILES for N-(3-chloropyrazin-2-yl)but-2-ynamide is CC#CC(=O)Nc1nccnc1Cl.
What is the InChIKey of N-(3-chloropyrazin-2-yl)but-2-ynamide?
The InChIKey is KAYVJPPFFYFXJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClN3O/c1-2-3-6(13)12-8-7(9)10-4-5-11-8/h4-5H,1H3,(H,11,12,13).
What are the key properties of N-(3-chloropyrazin-2-yl)but-2-ynamide?
N-(3-chloropyrazin-2-yl)but-2-ynamide has a molecular weight of 195.61 g/mol, XLogP of 1.09, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloropyrazin-2-yl)but-2-ynamide is sourced from PubChem (CID 107996159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).