2-hydrazinyl-N-[(2-methylpyrazol-3-yl)methyl]-5-nitropyrimidin-4-amine

C9H12N8O2 — CID 114045034

IUPAC2-hydrazinyl-N-[(2-methylpyrazol-3-yl)methyl]-5-nitropyrimidin-4-amine
SMILESCn1nccc1CNc1nc(NN)ncc1[N+](=O)[O-]
InChIInChI=1S/C9H12N8O2/c1-16-6(2-3-13-16)4-11-8-7(17(18)19)5-12-9(14-8)15-10/h2-3,5H,4,10H2,1H3,(H2,11,12,14,15)
InChIKeyWKSFWNPUPBIZBB-UHFFFAOYSA-N
MW264.25 g/mol
LogP0.02
Rot. Bonds5

About 2-hydrazinyl-N-[(2-methylpyrazol-3-yl)methyl]-5-nitropyrimidin-4-amine

2-hydrazinyl-N-[(2-methylpyrazol-3-yl)methyl]-5-nitropyrimidin-4-amine (PubChem CID 114045034) has the molecular formula C9H12N8O2 and a molecular weight of 264.25 g/mol. Its IUPAC name is 2-hydrazinyl-N-[(2-methylpyrazol-3-yl)methyl]-5-nitropyrimidin-4-amine.

Molecular Properties

Compound Name2-hydrazinyl-N-[(2-methylpyrazol-3-yl)methyl]-5-nitropyrimidin-4-amine
PubChem CID114045034
Molecular FormulaC9H12N8O2
Molecular Weight264.25 g/mol
Exact Mass264.11
IUPAC Name2-hydrazinyl-N-[(2-methylpyrazol-3-yl)methyl]-5-nitropyrimidin-4-amine
SMILESCn1nccc1CNc1nc(NN)ncc1[N+](=O)[O-]
InChIInChI=1S/C9H12N8O2/c1-16-6(2-3-13-16)4-11-8-7(17(18)19)5-12-9(14-8)15-10/h2-3,5H,4,10H2,1H3,(H2,11,12,14,15)
InChIKeyWKSFWNPUPBIZBB-UHFFFAOYSA-N
XLogP0.02
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 ≤ 50.02
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-hydrazinyl-N-[(2-methylpyrazol-3-yl)methyl]-3-nitropyridin-2-amine
CID 80914200
N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-hydrazinyl-5-nitropyrimidin-4-amine
CID 106043390
2-N-[(2-methylpyrazol-3-yl)methyl]-3-nitropyridine-2,6-diamine
CID 80829463
N-[(5-ethylthiophen-2-yl)methyl]-2-hydrazinyl-5-nitropyrimidin-4-amine
CID 106013089
2-hydrazinyl-5-nitro-N-(pyridazin-3-ylmethyl)pyrimidin-4-amine
CID 114045249
4-methyl-N-[(2-methylpyrazol-3-yl)methyl]-5-nitropyridin-2-amine
CID 79176407
2-hydrazinyl-N-[(2-methylpyrazol-3-yl)methyl]quinazolin-4-amine
CID 80913958
2-hydrazinyl-5-nitro-N-(2,3,3-trimethylbutyl)pyrimidin-4-amine
CID 114045169
4-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-N-methyl-5-nitropyrimidine-2,4-diamine
CID 106041456
2-hydrazinyl-N-[(1-methylpyrrolidin-2-yl)methyl]-5-nitropyrimidin-4-amine
CID 106026114
3-[(2-hydrazinyl-5-nitropyrimidin-4-yl)amino]-N,2,2-trimethylpropanamide
CID 106280909
3-[[(2-hydrazinyl-5-nitropyrimidin-4-yl)amino]methyl]-2-methyloxolan-3-ol
CID 106103690

Frequently Asked Questions

What is the IUPAC name of 2-hydrazinyl-N-[(2-methylpyrazol-3-yl)methyl]-5-nitropyrimidin-4-amine?
The IUPAC name of 2-hydrazinyl-N-[(2-methylpyrazol-3-yl)methyl]-5-nitropyrimidin-4-amine (CID 114045034) is 2-hydrazinyl-N-[(2-methylpyrazol-3-yl)methyl]-5-nitropyrimidin-4-amine.
What is the SMILES notation for 2-hydrazinyl-N-[(2-methylpyrazol-3-yl)methyl]-5-nitropyrimidin-4-amine?
The canonical SMILES for 2-hydrazinyl-N-[(2-methylpyrazol-3-yl)methyl]-5-nitropyrimidin-4-amine is Cn1nccc1CNc1nc(NN)ncc1[N+](=O)[O-].
What is the InChIKey of 2-hydrazinyl-N-[(2-methylpyrazol-3-yl)methyl]-5-nitropyrimidin-4-amine?
The InChIKey is WKSFWNPUPBIZBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N8O2/c1-16-6(2-3-13-16)4-11-8-7(17(18)19)5-12-9(14-8)15-10/h2-3,5H,4,10H2,1H3,(H2,11,12,14,15).
What are the key properties of 2-hydrazinyl-N-[(2-methylpyrazol-3-yl)methyl]-5-nitropyrimidin-4-amine?
2-hydrazinyl-N-[(2-methylpyrazol-3-yl)methyl]-5-nitropyrimidin-4-amine has a molecular weight of 264.25 g/mol, XLogP of 0.02, 5 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydrazinyl-N-[(2-methylpyrazol-3-yl)methyl]-5-nitropyrimidin-4-amine is sourced from PubChem (CID 114045034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).