N-[5-chloro-6-(2-hydroxyethylamino)-3-nitropyrazin-2-yl]acetamide

C8H10ClN5O4 — CID 13062978

IUPACN-[5-chloro-6-(2-hydroxyethylamino)-3-nitropyrazin-2-yl]acetamide
SMILESCC(=O)Nc1nc(NCCO)c(Cl)nc1[N+](=O)[O-]
InChIInChI=1S/C8H10ClN5O4/c1-4(16)11-7-8(14(17)18)12-5(9)6(13-7)10-2-3-15/h15H,2-3H2,1H3,(H2,10,11,13,16)
InChIKeyBELAQKKCCCHCOB-UHFFFAOYSA-N
MW275.65 g/mol
LogP0.40
Rot. Bonds5

About N-[5-chloro-6-(2-hydroxyethylamino)-3-nitropyrazin-2-yl]acetamide

N-[5-chloro-6-(2-hydroxyethylamino)-3-nitropyrazin-2-yl]acetamide (PubChem CID 13062978) has the molecular formula C8H10ClN5O4 and a molecular weight of 275.65 g/mol. Its IUPAC name is N-[5-chloro-6-(2-hydroxyethylamino)-3-nitropyrazin-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-chloro-6-(2-hydroxyethylamino)-3-nitropyrazin-2-yl]acetamide
PubChem CID13062978
Molecular FormulaC8H10ClN5O4
Molecular Weight275.65 g/mol
Exact Mass275.04
IUPAC NameN-[5-chloro-6-(2-hydroxyethylamino)-3-nitropyrazin-2-yl]acetamide
SMILESCC(=O)Nc1nc(NCCO)c(Cl)nc1[N+](=O)[O-]
InChIInChI=1S/C8H10ClN5O4/c1-4(16)11-7-8(14(17)18)12-5(9)6(13-7)10-2-3-15/h15H,2-3H2,1H3,(H2,10,11,13,16)
InChIKeyBELAQKKCCCHCOB-UHFFFAOYSA-N
XLogP0.40
TPSA130.28 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.65
LogP ≤ 50.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-chloro-4-(2-hydroxyethylamino)-2-methyl-6-nitropyridazin-3-one
CID 101137971
N-(4-nitro-1,2,5-oxadiazol-3-yl)acetamide
CID 4095460
2-[(6-chloro-4-nitro-2-pyridinyl)amino]ethanol
CID 103888263
2-[(5-methyl-3-nitro-2-pyridinyl)amino]ethanol
CID 65439508
1-[(6-chloro-5-nitropyrimidin-4-yl)amino]propan-2-one
CID 154151713
2-[(1,5-dimethyl-4-nitropyrazol-3-yl)amino]ethanol
CID 3591302
N-(4-nitro-1,2-thiazol-5-yl)acetamide
CID 10261859
2-[[2-(ethylamino)-6-methyl-5-nitropyrimidin-4-yl]amino]ethanol
CID 114044118
N-[2-[(6-methoxy-3-nitro-2-pyridinyl)amino]ethyl]acetamide
CID 22141713
1-[5-[(3,4-dichlorophenyl)methylamino]-4-nitro-1,3-thiazol-2-yl]ethanone
CID 118352333
N-(5-amino-4-nitro-1H-pyrazol-3-yl)acetamide
CID 5191533
2-[2-[(6-chloro-5-nitropyrimidin-4-yl)amino]ethoxy]ethanol
CID 62505223

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-6-(2-hydroxyethylamino)-3-nitropyrazin-2-yl]acetamide?
The IUPAC name of N-[5-chloro-6-(2-hydroxyethylamino)-3-nitropyrazin-2-yl]acetamide (CID 13062978) is N-[5-chloro-6-(2-hydroxyethylamino)-3-nitropyrazin-2-yl]acetamide.
What is the SMILES notation for N-[5-chloro-6-(2-hydroxyethylamino)-3-nitropyrazin-2-yl]acetamide?
The canonical SMILES for N-[5-chloro-6-(2-hydroxyethylamino)-3-nitropyrazin-2-yl]acetamide is CC(=O)Nc1nc(NCCO)c(Cl)nc1[N+](=O)[O-].
What is the InChIKey of N-[5-chloro-6-(2-hydroxyethylamino)-3-nitropyrazin-2-yl]acetamide?
The InChIKey is BELAQKKCCCHCOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClN5O4/c1-4(16)11-7-8(14(17)18)12-5(9)6(13-7)10-2-3-15/h15H,2-3H2,1H3,(H2,10,11,13,16).
What are the key properties of N-[5-chloro-6-(2-hydroxyethylamino)-3-nitropyrazin-2-yl]acetamide?
N-[5-chloro-6-(2-hydroxyethylamino)-3-nitropyrazin-2-yl]acetamide has a molecular weight of 275.65 g/mol, XLogP of 0.40, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-6-(2-hydroxyethylamino)-3-nitropyrazin-2-yl]acetamide is sourced from PubChem (CID 13062978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).