2-hydrazinyl-5-nitro-N-(pyridazin-3-ylmethyl)pyrimidin-4-amine

C9H10N8O2 — CID 114045249

IUPAC2-hydrazinyl-5-nitro-N-(pyridazin-3-ylmethyl)pyrimidin-4-amine
SMILESNNc1ncc([N+](=O)[O-])c(NCc2cccnn2)n1
InChIInChI=1S/C9H10N8O2/c10-15-9-12-5-7(17(18)19)8(14-9)11-4-6-2-1-3-13-16-6/h1-3,5H,4,10H2,(H2,11,12,14,15)
InChIKeyBRLMZOIMPAEPTJ-UHFFFAOYSA-N
MW262.23 g/mol
LogP0.07
Rot. Bonds5

About 2-hydrazinyl-5-nitro-N-(pyridazin-3-ylmethyl)pyrimidin-4-amine

2-hydrazinyl-5-nitro-N-(pyridazin-3-ylmethyl)pyrimidin-4-amine (PubChem CID 114045249) has the molecular formula C9H10N8O2 and a molecular weight of 262.23 g/mol. Its IUPAC name is 2-hydrazinyl-5-nitro-N-(pyridazin-3-ylmethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-hydrazinyl-5-nitro-N-(pyridazin-3-ylmethyl)pyrimidin-4-amine
PubChem CID114045249
Molecular FormulaC9H10N8O2
Molecular Weight262.23 g/mol
Exact Mass262.09
IUPAC Name2-hydrazinyl-5-nitro-N-(pyridazin-3-ylmethyl)pyrimidin-4-amine
SMILESNNc1ncc([N+](=O)[O-])c(NCc2cccnn2)n1
InChIInChI=1S/C9H10N8O2/c10-15-9-12-5-7(17(18)19)8(14-9)11-4-6-2-1-3-13-16-6/h1-3,5H,4,10H2,(H2,11,12,14,15)
InChIKeyBRLMZOIMPAEPTJ-UHFFFAOYSA-N
XLogP0.07
TPSA144.78 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.23
LogP ≤ 50.07
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

3-nitro-N-(pyridazin-3-ylmethyl)pyridin-2-amine
CID 106832672
N-[(5-ethylthiophen-2-yl)methyl]-2-hydrazinyl-5-nitropyrimidin-4-amine
CID 106013089
2-hydrazinyl-N-[(2-methylpyrazol-3-yl)methyl]-5-nitropyrimidin-4-amine
CID 114045034
2-hydrazinyl-N-(pyridazin-3-ylmethyl)thieno[3,2-d]pyrimidin-4-amine
CID 112750723
N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-hydrazinyl-5-nitropyrimidin-4-amine
CID 106043390
2-hydrazinyl-5-nitro-N-(2,3,3-trimethylbutyl)pyrimidin-4-amine
CID 114045169
2-N-(pyridazin-3-ylmethyl)pyrimidine-2,5-diamine
CID 106894789
5-fluoro-2-N-methyl-4-N-(pyridazin-3-ylmethyl)pyrimidine-2,4-diamine
CID 106898146
2-methyl-3-nitro-N-(pyridazin-3-ylmethyl)aniline
CID 106896610
2-(methylamino)-4-(pyridazin-3-ylmethylamino)pyrimidine-5-carbonitrile
CID 175621024
5-bromo-2-nitro-N-(pyridazin-3-ylmethyl)aniline
CID 106832706
4-N-benzyl-5-nitro-2-N-phenylpyrimidine-2,4-diamine
CID 102172418

Frequently Asked Questions

What is the IUPAC name of 2-hydrazinyl-5-nitro-N-(pyridazin-3-ylmethyl)pyrimidin-4-amine?
The IUPAC name of 2-hydrazinyl-5-nitro-N-(pyridazin-3-ylmethyl)pyrimidin-4-amine (CID 114045249) is 2-hydrazinyl-5-nitro-N-(pyridazin-3-ylmethyl)pyrimidin-4-amine.
What is the SMILES notation for 2-hydrazinyl-5-nitro-N-(pyridazin-3-ylmethyl)pyrimidin-4-amine?
The canonical SMILES for 2-hydrazinyl-5-nitro-N-(pyridazin-3-ylmethyl)pyrimidin-4-amine is NNc1ncc([N+](=O)[O-])c(NCc2cccnn2)n1.
What is the InChIKey of 2-hydrazinyl-5-nitro-N-(pyridazin-3-ylmethyl)pyrimidin-4-amine?
The InChIKey is BRLMZOIMPAEPTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N8O2/c10-15-9-12-5-7(17(18)19)8(14-9)11-4-6-2-1-3-13-16-6/h1-3,5H,4,10H2,(H2,11,12,14,15).
What are the key properties of 2-hydrazinyl-5-nitro-N-(pyridazin-3-ylmethyl)pyrimidin-4-amine?
2-hydrazinyl-5-nitro-N-(pyridazin-3-ylmethyl)pyrimidin-4-amine has a molecular weight of 262.23 g/mol, XLogP of 0.07, 5 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydrazinyl-5-nitro-N-(pyridazin-3-ylmethyl)pyrimidin-4-amine is sourced from PubChem (CID 114045249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).