N-(1-ethylpyrazol-3-yl)-2-hydrazinyl-5-nitropyrimidin-4-amine

C9H12N8O2 — CID 114250767

IUPACN-(1-ethylpyrazol-3-yl)-2-hydrazinyl-5-nitropyrimidin-4-amine
SMILESCCn1ccc(Nc2nc(NN)ncc2[N+](=O)[O-])n1
InChIInChI=1S/C9H12N8O2/c1-2-16-4-3-7(15-16)12-8-6(17(18)19)5-11-9(13-8)14-10/h3-5H,2,10H2,1H3,(H2,11,12,13,14,15)
InChIKeyRUVVMZDWWNRNMY-UHFFFAOYSA-N
MW264.25 g/mol
LogP0.63
Rot. Bonds5

About N-(1-ethylpyrazol-3-yl)-2-hydrazinyl-5-nitropyrimidin-4-amine

N-(1-ethylpyrazol-3-yl)-2-hydrazinyl-5-nitropyrimidin-4-amine (PubChem CID 114250767) has the molecular formula C9H12N8O2 and a molecular weight of 264.25 g/mol. Its IUPAC name is N-(1-ethylpyrazol-3-yl)-2-hydrazinyl-5-nitropyrimidin-4-amine.

Molecular Properties

Compound NameN-(1-ethylpyrazol-3-yl)-2-hydrazinyl-5-nitropyrimidin-4-amine
PubChem CID114250767
Molecular FormulaC9H12N8O2
Molecular Weight264.25 g/mol
Exact Mass264.11
IUPAC NameN-(1-ethylpyrazol-3-yl)-2-hydrazinyl-5-nitropyrimidin-4-amine
SMILESCCn1ccc(Nc2nc(NN)ncc2[N+](=O)[O-])n1
InChIInChI=1S/C9H12N8O2/c1-2-16-4-3-7(15-16)12-8-6(17(18)19)5-11-9(13-8)14-10/h3-5H,2,10H2,1H3,(H2,11,12,13,14,15)
InChIKeyRUVVMZDWWNRNMY-UHFFFAOYSA-N
XLogP0.63
TPSA136.82 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.25
LogP ≤ 50.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

6-Nitropyrazolo[1,5-a]pyrimidine
CID 289981
3-Nitropyrazolo[1,5-a]pyrimidine
CID 687127
N-(4-nitro-1H-pyrazol-5-yl)-1,2,4-triazin-3-amine
CID 11367757
2-Azido-3-(4-nitropyrazol-1-yl)pyrazine
CID 126484525
7-Amino-6-nitro[1,2,4]triazolo[1,5-a]pyrimidine
CID 129873797
N-(2-fluoroethyl)-3-nitropyrazolo[1,5-a]pyrimidin-5-amine
CID 169086675
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
1-methyl-3,4-dinitro-N-(1-propylpyrazol-3-yl)pyrazol-5-amine
CID 139214861
2-N-[1-(2,2-difluoroethyl)pyrazol-3-yl]-5-nitropyrimidine-2,4-diamine
CID 71978652
N-ethyl-5-nitro-6-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-amine
CID 80840144
[5-Nitro-6-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-yl]hydrazine
CID 80901887

Frequently Asked Questions

What is the IUPAC name of N-(1-ethylpyrazol-3-yl)-2-hydrazinyl-5-nitropyrimidin-4-amine?
The IUPAC name of N-(1-ethylpyrazol-3-yl)-2-hydrazinyl-5-nitropyrimidin-4-amine (CID 114250767) is N-(1-ethylpyrazol-3-yl)-2-hydrazinyl-5-nitropyrimidin-4-amine.
What is the SMILES notation for N-(1-ethylpyrazol-3-yl)-2-hydrazinyl-5-nitropyrimidin-4-amine?
The canonical SMILES for N-(1-ethylpyrazol-3-yl)-2-hydrazinyl-5-nitropyrimidin-4-amine is CCn1ccc(Nc2nc(NN)ncc2[N+](=O)[O-])n1.
What is the InChIKey of N-(1-ethylpyrazol-3-yl)-2-hydrazinyl-5-nitropyrimidin-4-amine?
The InChIKey is RUVVMZDWWNRNMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N8O2/c1-2-16-4-3-7(15-16)12-8-6(17(18)19)5-11-9(13-8)14-10/h3-5H,2,10H2,1H3,(H2,11,12,13,14,15).
What are the key properties of N-(1-ethylpyrazol-3-yl)-2-hydrazinyl-5-nitropyrimidin-4-amine?
N-(1-ethylpyrazol-3-yl)-2-hydrazinyl-5-nitropyrimidin-4-amine has a molecular weight of 264.25 g/mol, XLogP of 0.63, 5 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethylpyrazol-3-yl)-2-hydrazinyl-5-nitropyrimidin-4-amine is sourced from PubChem (CID 114250767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).