N-(1-ethylpyrazol-3-yl)-6-hydrazinyl-5-nitropyrimidin-4-amine

C9H12N8O2 — CID 114250765

IUPACN-(1-ethylpyrazol-3-yl)-6-hydrazinyl-5-nitropyrimidin-4-amine
SMILESCCn1ccc(Nc2ncnc(NN)c2[N+](=O)[O-])n1
InChIInChI=1S/C9H12N8O2/c1-2-16-4-3-6(15-16)13-8-7(17(18)19)9(14-10)12-5-11-8/h3-5H,2,10H2,1H3,(H2,11,12,13,14,15)
InChIKeyIEFIOTKJNPPPOD-UHFFFAOYSA-N
MW264.25 g/mol
LogP0.63
Rot. Bonds5

About N-(1-ethylpyrazol-3-yl)-6-hydrazinyl-5-nitropyrimidin-4-amine

N-(1-ethylpyrazol-3-yl)-6-hydrazinyl-5-nitropyrimidin-4-amine (PubChem CID 114250765) has the molecular formula C9H12N8O2 and a molecular weight of 264.25 g/mol. Its IUPAC name is N-(1-ethylpyrazol-3-yl)-6-hydrazinyl-5-nitropyrimidin-4-amine.

Molecular Properties

Compound NameN-(1-ethylpyrazol-3-yl)-6-hydrazinyl-5-nitropyrimidin-4-amine
PubChem CID114250765
Molecular FormulaC9H12N8O2
Molecular Weight264.25 g/mol
Exact Mass264.11
IUPAC NameN-(1-ethylpyrazol-3-yl)-6-hydrazinyl-5-nitropyrimidin-4-amine
SMILESCCn1ccc(Nc2ncnc(NN)c2[N+](=O)[O-])n1
InChIInChI=1S/C9H12N8O2/c1-2-16-4-3-6(15-16)13-8-7(17(18)19)9(14-10)12-5-11-8/h3-5H,2,10H2,1H3,(H2,11,12,13,14,15)
InChIKeyIEFIOTKJNPPPOD-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-N-ethyl-4-N-(1-methylpyrazol-3-yl)-5-nitropyrimidine-4,6-diamine
CID 80850004
6-hydrazinyl-N-(5-methyl-2-pyridinyl)-5-nitropyrimidin-4-amine
CID 22534751
6-hydrazinyl-5-nitro-N-(1-pyrazol-1-ylpropan-2-yl)pyrimidin-4-amine
CID 80895976
6-ethoxy-4-N-(1-ethylpyrazol-3-yl)pyrimidine-4,5-diamine
CID 114251440
N-(5-bromo-2-methylphenyl)-6-hydrazinyl-5-nitropyrimidin-4-amine
CID 80898951
N-(6-hydrazinyl-5-nitropyrimidin-4-yl)-1,3-thiazol-2-amine
CID 22531681
6-hydrazinyl-N-(1-methylpyrazol-4-yl)-5-nitropyrimidin-4-amine
CID 80930058
6-chloro-5-nitro-N-(1-propan-2-ylpyrazol-3-yl)pyrimidin-4-amine
CID 114251640
6-hydrazinyl-N-(2-methylpropyl)-5-nitropyrimidin-4-amine
CID 80932931
1-methyl-3,4-dinitro-N-(1-propylpyrazol-3-yl)pyrazol-5-amine
CID 139214861
N-(3,5-dichlorophenyl)-6-hydrazinyl-5-nitropyrimidin-4-amine
CID 23483587
N-ethyl-6-hydrazinyl-5-nitro-N-propylpyrimidin-4-amine
CID 80943828

Frequently Asked Questions

What is the IUPAC name of N-(1-ethylpyrazol-3-yl)-6-hydrazinyl-5-nitropyrimidin-4-amine?
The IUPAC name of N-(1-ethylpyrazol-3-yl)-6-hydrazinyl-5-nitropyrimidin-4-amine (CID 114250765) is N-(1-ethylpyrazol-3-yl)-6-hydrazinyl-5-nitropyrimidin-4-amine.
What is the SMILES notation for N-(1-ethylpyrazol-3-yl)-6-hydrazinyl-5-nitropyrimidin-4-amine?
The canonical SMILES for N-(1-ethylpyrazol-3-yl)-6-hydrazinyl-5-nitropyrimidin-4-amine is CCn1ccc(Nc2ncnc(NN)c2[N+](=O)[O-])n1.
What is the InChIKey of N-(1-ethylpyrazol-3-yl)-6-hydrazinyl-5-nitropyrimidin-4-amine?
The InChIKey is IEFIOTKJNPPPOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N8O2/c1-2-16-4-3-6(15-16)13-8-7(17(18)19)9(14-10)12-5-11-8/h3-5H,2,10H2,1H3,(H2,11,12,13,14,15).
What are the key properties of N-(1-ethylpyrazol-3-yl)-6-hydrazinyl-5-nitropyrimidin-4-amine?
N-(1-ethylpyrazol-3-yl)-6-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)-6-hydrazinyl-5-nitropyrimidin-4-amine is sourced from PubChem (CID 114250765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).