N-ethyl-5-[(4-methyl-3-nitropyrazol-1-yl)methyl]pyrazin-2-amine

C11H14N6O2 — CID 103057365

IUPACN-ethyl-5-[(4-methyl-3-nitropyrazol-1-yl)methyl]pyrazin-2-amine
SMILESCCNc1cnc(Cn2cc(C)c([N+](=O)[O-])n2)cn1
InChIInChI=1S/C11H14N6O2/c1-3-12-10-5-13-9(4-14-10)7-16-6-8(2)11(15-16)17(18)19/h4-6H,3,7H2,1-2H3,(H,12,14)
InChIKeyDHYAQZBZESRWMM-UHFFFAOYSA-N
MW262.27 g/mol
LogP1.37
Rot. Bonds5

About N-ethyl-5-[(4-methyl-3-nitropyrazol-1-yl)methyl]pyrazin-2-amine

N-ethyl-5-[(4-methyl-3-nitropyrazol-1-yl)methyl]pyrazin-2-amine (PubChem CID 103057365) has the molecular formula C11H14N6O2 and a molecular weight of 262.27 g/mol. Its IUPAC name is N-ethyl-5-[(4-methyl-3-nitropyrazol-1-yl)methyl]pyrazin-2-amine.

Molecular Properties

Compound NameN-ethyl-5-[(4-methyl-3-nitropyrazol-1-yl)methyl]pyrazin-2-amine
PubChem CID103057365
Molecular FormulaC11H14N6O2
Molecular Weight262.27 g/mol
Exact Mass262.12
IUPAC NameN-ethyl-5-[(4-methyl-3-nitropyrazol-1-yl)methyl]pyrazin-2-amine
SMILESCCNc1cnc(Cn2cc(C)c([N+](=O)[O-])n2)cn1
InChIInChI=1S/C11H14N6O2/c1-3-12-10-5-13-9(4-14-10)7-16-6-8(2)11(15-16)17(18)19/h4-6H,3,7H2,1-2H3,(H,12,14)
InChIKeyDHYAQZBZESRWMM-UHFFFAOYSA-N
XLogP1.37
TPSA98.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 51.37
H-Bond Donors ≤ 51
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-[(4-bromo-3-nitropyrazol-1-yl)methyl]-N-methylpyrazin-2-amine
CID 103057250
N-methyl-2-[(4-methyl-3-nitropyrazol-1-yl)methyl]pyridin-4-amine
CID 79250794
N-ethyl-5-methyl-4-nitropyridin-2-amine
CID 15372751
1-(4-methyl-3-nitropyrazol-1-yl)butan-2-one
CID 25219637
1-[(2-fluorophenyl)methyl]-4-methyl-3-nitropyrazole
CID 171134022
N-ethyl-5-(piperidin-1-ylmethyl)pyrazin-2-amine
CID 103055450
(2S)-1-(4-methyl-3-nitropyrazol-1-yl)propan-2-ol
CID 106932970
1-bromo-3-(4-methyl-3-nitropyrazol-1-yl)propan-2-ol
CID 112560315
[5-[(4-nitropyrazol-1-yl)methyl]pyrazin-2-yl]hydrazine
CID 103061286
N-ethyl-5-[(2-nitrophenyl)sulfanylmethyl]pyrazin-2-amine
CID 103059899
3-[[5-(ethylamino)pyrazin-2-yl]methyl]-5-iodopyrimidin-4-one
CID 103057459
2-[[5-(ethylamino)pyrazin-2-yl]methyl]-4,5-dimethyl-1H-pyridazine-3,6-dione
CID 103057319

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-[(4-methyl-3-nitropyrazol-1-yl)methyl]pyrazin-2-amine?
The IUPAC name of N-ethyl-5-[(4-methyl-3-nitropyrazol-1-yl)methyl]pyrazin-2-amine (CID 103057365) is N-ethyl-5-[(4-methyl-3-nitropyrazol-1-yl)methyl]pyrazin-2-amine.
What is the SMILES notation for N-ethyl-5-[(4-methyl-3-nitropyrazol-1-yl)methyl]pyrazin-2-amine?
The canonical SMILES for N-ethyl-5-[(4-methyl-3-nitropyrazol-1-yl)methyl]pyrazin-2-amine is CCNc1cnc(Cn2cc(C)c([N+](=O)[O-])n2)cn1.
What is the InChIKey of N-ethyl-5-[(4-methyl-3-nitropyrazol-1-yl)methyl]pyrazin-2-amine?
The InChIKey is DHYAQZBZESRWMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N6O2/c1-3-12-10-5-13-9(4-14-10)7-16-6-8(2)11(15-16)17(18)19/h4-6H,3,7H2,1-2H3,(H,12,14).
What are the key properties of N-ethyl-5-[(4-methyl-3-nitropyrazol-1-yl)methyl]pyrazin-2-amine?
N-ethyl-5-[(4-methyl-3-nitropyrazol-1-yl)methyl]pyrazin-2-amine has a molecular weight of 262.27 g/mol, XLogP of 1.37, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-[(4-methyl-3-nitropyrazol-1-yl)methyl]pyrazin-2-amine is sourced from PubChem (CID 103057365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).