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

C8H10N8O2 — CID 80929846

IUPAC6-hydrazinyl-N-(1-methylpyrazol-3-yl)-5-nitropyrimidin-4-amine
SMILESCn1ccc(Nc2ncnc(NN)c2[N+](=O)[O-])n1
InChIInChI=1S/C8H10N8O2/c1-15-3-2-5(14-15)12-7-6(16(17)18)8(13-9)11-4-10-7/h2-4H,9H2,1H3,(H2,10,11,12,13,14)
InChIKeyXIBKWWQPWCWBQE-UHFFFAOYSA-N
MW250.22 g/mol
LogP0.15
Rot. Bonds4

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

6-hydrazinyl-N-(1-methylpyrazol-3-yl)-5-nitropyrimidin-4-amine (PubChem CID 80929846) has the molecular formula C8H10N8O2 and a molecular weight of 250.22 g/mol. Its IUPAC name is 6-hydrazinyl-N-(1-methylpyrazol-3-yl)-5-nitropyrimidin-4-amine.

Molecular Properties

Compound Name6-hydrazinyl-N-(1-methylpyrazol-3-yl)-5-nitropyrimidin-4-amine
PubChem CID80929846
Molecular FormulaC8H10N8O2
Molecular Weight250.22 g/mol
Exact Mass250.09
IUPAC Name6-hydrazinyl-N-(1-methylpyrazol-3-yl)-5-nitropyrimidin-4-amine
SMILESCn1ccc(Nc2ncnc(NN)c2[N+](=O)[O-])n1
InChIInChI=1S/C8H10N8O2/c1-15-3-2-5(14-15)12-7-6(16(17)18)8(13-9)11-4-10-7/h2-4H,9H2,1H3,(H2,10,11,12,13,14)
InChIKeyXIBKWWQPWCWBQE-UHFFFAOYSA-N
XLogP0.15
TPSA136.82 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.22
LogP ≤ 50.15
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'}

Analyze 6-hydrazinyl-N-(1-methylpyrazol-3-yl)-5-nitropyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 289981
CID 289981
CID 687127
CID 687127
CID 11367757
CID 11367757
CID 126484525
CID 126484525
CID 129873797
CID 129873797
CID 169086675
CID 169086675
CID 134998779
CID 134998779
CID 135016071
CID 135016071
CID 139214861
CID 139214861
CID 71978652
CID 71978652
CID 80840144
CID 80840144
CID 80901887
CID 80901887

Frequently Asked Questions

What is the IUPAC name of 6-hydrazinyl-N-(1-methylpyrazol-3-yl)-5-nitropyrimidin-4-amine?
The IUPAC name of 6-hydrazinyl-N-(1-methylpyrazol-3-yl)-5-nitropyrimidin-4-amine (CID 80929846) is 6-hydrazinyl-N-(1-methylpyrazol-3-yl)-5-nitropyrimidin-4-amine.
What is the SMILES notation for 6-hydrazinyl-N-(1-methylpyrazol-3-yl)-5-nitropyrimidin-4-amine?
The canonical SMILES for 6-hydrazinyl-N-(1-methylpyrazol-3-yl)-5-nitropyrimidin-4-amine is Cn1ccc(Nc2ncnc(NN)c2[N+](=O)[O-])n1.
What is the InChIKey of 6-hydrazinyl-N-(1-methylpyrazol-3-yl)-5-nitropyrimidin-4-amine?
The InChIKey is XIBKWWQPWCWBQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N8O2/c1-15-3-2-5(14-15)12-7-6(16(17)18)8(13-9)11-4-10-7/h2-4H,9H2,1H3,(H2,10,11,12,13,14).
What are the key properties of 6-hydrazinyl-N-(1-methylpyrazol-3-yl)-5-nitropyrimidin-4-amine?
6-hydrazinyl-N-(1-methylpyrazol-3-yl)-5-nitropyrimidin-4-amine has a molecular weight of 250.22 g/mol, XLogP of 0.15, 4 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydrazinyl-N-(1-methylpyrazol-3-yl)-5-nitropyrimidin-4-amine is sourced from PubChem (CID 80929846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).