N-ethyl-6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-5-nitropyridin-2-amine

C10H12N6O2S — CID 104605012

IUPACN-ethyl-6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-5-nitropyridin-2-amine
SMILESCCNc1ccc([N+](=O)[O-])c(Sc2ncnn2C)n1
InChIInChI=1S/C10H12N6O2S/c1-3-11-8-5-4-7(16(17)18)9(14-8)19-10-12-6-13-15(10)2/h4-6H,3H2,1-2H3,(H,11,14)
InChIKeyDPFRXMKCJGHBQE-UHFFFAOYSA-N
MW280.31 g/mol
LogP1.70
Rot. Bonds5

About N-ethyl-6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-5-nitropyridin-2-amine

N-ethyl-6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-5-nitropyridin-2-amine (PubChem CID 104605012) has the molecular formula C10H12N6O2S and a molecular weight of 280.31 g/mol. Its IUPAC name is N-ethyl-6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-5-nitropyridin-2-amine.

Molecular Properties

Compound NameN-ethyl-6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-5-nitropyridin-2-amine
PubChem CID104605012
Molecular FormulaC10H12N6O2S
Molecular Weight280.31 g/mol
Exact Mass280.07
IUPAC NameN-ethyl-6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-5-nitropyridin-2-amine
SMILESCCNc1ccc([N+](=O)[O-])c(Sc2ncnn2C)n1
InChIInChI=1S/C10H12N6O2S/c1-3-11-8-5-4-7(16(17)18)9(14-8)19-10-12-6-13-15(10)2/h4-6H,3H2,1-2H3,(H,11,14)
InChIKeyDPFRXMKCJGHBQE-UHFFFAOYSA-N
XLogP1.70
TPSA98.77 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.31
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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

6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-ethyl-5-nitropyridin-2-amine
CID 106928658
6-butylsulfanyl-N-ethyl-5-nitropyridin-2-amine
CID 80883977
N-ethyl-6-(3-methylbutylsulfanyl)-5-nitropyridin-2-amine
CID 107766034
tert-butyl 2-[[6-(ethylamino)-3-nitro-2-pyridinyl]sulfanyl]acetate
CID 116688261
6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-5-nitropyrimidin-4-amine
CID 104604941
6-but-3-enoxy-N-ethyl-5-nitropyridin-2-amine
CID 80861167
3-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-2-nitro-N-propylaniline
CID 104604994
3-[(6-hydrazinyl-3-nitro-2-pyridinyl)sulfanyl]-4-methyl-1H-1,2,4-triazol-5-one
CID 80929026
2-[[6-(ethylamino)-3-nitro-2-pyridinyl]oxy]ethanol
CID 80859500
6-N-ethyl-3-nitro-2-N-propan-2-ylpyridine-2,6-diamine
CID 80765185
N-ethyl-5-methyl-6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-2-propylpyrimidin-4-amine
CID 104604999
N-ethyl-6-hydrazinyl-3-nitropyridin-2-amine
CID 80932567

Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-5-nitropyridin-2-amine?
The IUPAC name of N-ethyl-6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-5-nitropyridin-2-amine (CID 104605012) is N-ethyl-6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-5-nitropyridin-2-amine.
What is the SMILES notation for N-ethyl-6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-5-nitropyridin-2-amine?
The canonical SMILES for N-ethyl-6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-5-nitropyridin-2-amine is CCNc1ccc([N+](=O)[O-])c(Sc2ncnn2C)n1.
What is the InChIKey of N-ethyl-6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-5-nitropyridin-2-amine?
The InChIKey is DPFRXMKCJGHBQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N6O2S/c1-3-11-8-5-4-7(16(17)18)9(14-8)19-10-12-6-13-15(10)2/h4-6H,3H2,1-2H3,(H,11,14).
What are the key properties of N-ethyl-6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-5-nitropyridin-2-amine?
N-ethyl-6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-5-nitropyridin-2-amine has a molecular weight of 280.31 g/mol, XLogP of 1.70, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-5-nitropyridin-2-amine is sourced from PubChem (CID 104605012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).