N-(4-nitro-1H-pyrazol-5-yl)-1,2,4-triazin-3-amine

C6H5N7O2 — CID 11367757

IUPACN-(4-nitro-1H-pyrazol-5-yl)-1,2,4-triazin-3-amine
SMILESO=[N+]([O-])c1cn[nH]c1Nc1nccnn1
InChIInChI=1S/C6H5N7O2/c14-13(15)4-3-9-11-5(4)10-6-7-1-2-8-12-6/h1-3H,(H2,7,9,10,11,12)
InChIKeyZUPYLESWDCDSMO-UHFFFAOYSA-N
MW207.15 g/mol
LogP0.25
Rot. Bonds3

About N-(4-nitro-1H-pyrazol-5-yl)-1,2,4-triazin-3-amine

N-(4-nitro-1H-pyrazol-5-yl)-1,2,4-triazin-3-amine (PubChem CID 11367757) has the molecular formula C6H5N7O2 and a molecular weight of 207.15 g/mol. Its IUPAC name is N-(4-nitro-1H-pyrazol-5-yl)-1,2,4-triazin-3-amine.

Molecular Properties

Compound NameN-(4-nitro-1H-pyrazol-5-yl)-1,2,4-triazin-3-amine
PubChem CID11367757
Molecular FormulaC6H5N7O2
Molecular Weight207.15 g/mol
Exact Mass207.05
IUPAC NameN-(4-nitro-1H-pyrazol-5-yl)-1,2,4-triazin-3-amine
SMILESO=[N+]([O-])c1cn[nH]c1Nc1nccnn1
InChIInChI=1S/C6H5N7O2/c14-13(15)4-3-9-11-5(4)10-6-7-1-2-8-12-6/h1-3H,(H2,7,9,10,11,12)
InChIKeyZUPYLESWDCDSMO-UHFFFAOYSA-N
XLogP0.25
TPSA122.52 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.15
LogP ≤ 50.25
H-Bond Donors ≤ 52
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

6-Nitro-(1,2,4)triazolo(1,5-A)pyrimidin-2-ylamine
CID 601879
2-Azido-3-(4-nitropyrazol-1-yl)pyrazine
CID 126484525
7-Amino-6-nitro[1,2,4]triazolo[1,5-a]pyrimidine
CID 129873797
1-(4-Nitro-1h-pyrazol-3-yl)-1h-tetrazole
CID 132427506
4-Nitro-3-(1,2,4-triazol-4-yl)pyrazole
CID 129763745
3-methylsulfanyl-N-(4-nitro-1H-pyrazol-5-yl)-1,2,4-triazin-5-amine
CID 134998779
2-Azido-3-(3,4-dinitropyrazol-1-yl)pyrazine
CID 135016071
2-N-[1-(2,2-difluoroethyl)pyrazol-3-yl]-5-nitropyrimidine-2,4-diamine
CID 71978652
4-Fluoro-5-nitro-6-(1h-pyrazol-1-yl)pyrimidine
CID 164659380
3,7-dinitro-5H-imidazo[1,2-b]pyrazole
CID 317500
7-nitro-1H-imidazo[1,2-b]pyrazole
CID 1247222
2-Methyl-6-nitro-[1,2,4]triazolo[1,5-a]pyrimidine
CID 12756621

Frequently Asked Questions

What is the IUPAC name of N-(4-nitro-1H-pyrazol-5-yl)-1,2,4-triazin-3-amine?
The IUPAC name of N-(4-nitro-1H-pyrazol-5-yl)-1,2,4-triazin-3-amine (CID 11367757) is N-(4-nitro-1H-pyrazol-5-yl)-1,2,4-triazin-3-amine.
What is the SMILES notation for N-(4-nitro-1H-pyrazol-5-yl)-1,2,4-triazin-3-amine?
The canonical SMILES for N-(4-nitro-1H-pyrazol-5-yl)-1,2,4-triazin-3-amine is O=[N+]([O-])c1cn[nH]c1Nc1nccnn1.
What is the InChIKey of N-(4-nitro-1H-pyrazol-5-yl)-1,2,4-triazin-3-amine?
The InChIKey is ZUPYLESWDCDSMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5N7O2/c14-13(15)4-3-9-11-5(4)10-6-7-1-2-8-12-6/h1-3H,(H2,7,9,10,11,12).
What are the key properties of N-(4-nitro-1H-pyrazol-5-yl)-1,2,4-triazin-3-amine?
N-(4-nitro-1H-pyrazol-5-yl)-1,2,4-triazin-3-amine has a molecular weight of 207.15 g/mol, XLogP of 0.25, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-nitro-1H-pyrazol-5-yl)-1,2,4-triazin-3-amine is sourced from PubChem (CID 11367757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).