N-ethyl-5-[(2-nitrophenyl)sulfanylmethyl]pyrazin-2-amine

C13H14N4O2S — CID 103059899

IUPACN-ethyl-5-[(2-nitrophenyl)sulfanylmethyl]pyrazin-2-amine
SMILESCCNc1cnc(CSc2ccccc2[N+](=O)[O-])cn1
InChIInChI=1S/C13H14N4O2S/c1-2-14-13-8-15-10(7-16-13)9-20-12-6-4-3-5-11(12)17(18)19/h3-8H,2,9H2,1H3,(H,14,16)
InChIKeyPYNRGUMLMGOJRC-UHFFFAOYSA-N
MW290.35 g/mol
LogP3.11
Rot. Bonds6

About N-ethyl-5-[(2-nitrophenyl)sulfanylmethyl]pyrazin-2-amine

N-ethyl-5-[(2-nitrophenyl)sulfanylmethyl]pyrazin-2-amine (PubChem CID 103059899) has the molecular formula C13H14N4O2S and a molecular weight of 290.35 g/mol. Its IUPAC name is N-ethyl-5-[(2-nitrophenyl)sulfanylmethyl]pyrazin-2-amine.

Molecular Properties

Compound NameN-ethyl-5-[(2-nitrophenyl)sulfanylmethyl]pyrazin-2-amine
PubChem CID103059899
Molecular FormulaC13H14N4O2S
Molecular Weight290.35 g/mol
Exact Mass290.08
IUPAC NameN-ethyl-5-[(2-nitrophenyl)sulfanylmethyl]pyrazin-2-amine
SMILESCCNc1cnc(CSc2ccccc2[N+](=O)[O-])cn1
InChIInChI=1S/C13H14N4O2S/c1-2-14-13-8-15-10(7-16-13)9-20-12-6-4-3-5-11(12)17(18)19/h3-8H,2,9H2,1H3,(H,14,16)
InChIKeyPYNRGUMLMGOJRC-UHFFFAOYSA-N
XLogP3.11
TPSA80.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.35
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-[(2-nitrophenyl)sulfanylmethyl]-N-propylpyrazin-2-amine
CID 103059897
N-ethyl-3-[(2-nitrophenyl)sulfanylmethyl]pyridin-2-amine
CID 62467315
5-[(2-nitrophenyl)sulfanylmethyl]pyridin-2-amine
CID 62187535
N-ethyl-3,3-dimethyl-1-(2-nitrophenyl)sulfanylbutan-2-amine
CID 64611977
1-tert-butylsulfanyl-2-nitrobenzene
CID 15655967
2-chloro-4-[(2-nitrophenyl)sulfanylmethyl]pyrimidine
CID 112751189
4-N-ethyl-6-(2-nitrophenyl)sulfanylpyrimidine-2,4-diamine
CID 80884456
N-ethyl-5-[(4-methylpyrimidin-2-yl)sulfanylmethyl]pyrazin-2-amine
CID 103060079
N-ethyl-5-[(2-nitrophenoxy)methyl]pyridin-2-amine
CID 62195082
[5-[(2-nitrophenyl)sulfanylmethyl]-1,3-thiazol-2-yl]hydrazine
CID 79764045
1-butylsulfanyl-2-nitrobenzene
CID 12646349
N-ethyl-5-methyl-4-nitropyridin-2-amine
CID 15372751

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-[(2-nitrophenyl)sulfanylmethyl]pyrazin-2-amine?
The IUPAC name of N-ethyl-5-[(2-nitrophenyl)sulfanylmethyl]pyrazin-2-amine (CID 103059899) is N-ethyl-5-[(2-nitrophenyl)sulfanylmethyl]pyrazin-2-amine.
What is the SMILES notation for N-ethyl-5-[(2-nitrophenyl)sulfanylmethyl]pyrazin-2-amine?
The canonical SMILES for N-ethyl-5-[(2-nitrophenyl)sulfanylmethyl]pyrazin-2-amine is CCNc1cnc(CSc2ccccc2[N+](=O)[O-])cn1.
What is the InChIKey of N-ethyl-5-[(2-nitrophenyl)sulfanylmethyl]pyrazin-2-amine?
The InChIKey is PYNRGUMLMGOJRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O2S/c1-2-14-13-8-15-10(7-16-13)9-20-12-6-4-3-5-11(12)17(18)19/h3-8H,2,9H2,1H3,(H,14,16).
What are the key properties of N-ethyl-5-[(2-nitrophenyl)sulfanylmethyl]pyrazin-2-amine?
N-ethyl-5-[(2-nitrophenyl)sulfanylmethyl]pyrazin-2-amine has a molecular weight of 290.35 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-[(2-nitrophenyl)sulfanylmethyl]pyrazin-2-amine is sourced from PubChem (CID 103059899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).