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

C8H10N8O2 — CID 80930058

IUPAC6-hydrazinyl-N-(1-methylpyrazol-4-yl)-5-nitropyrimidin-4-amine
SMILESCn1cc(Nc2ncnc(NN)c2[N+](=O)[O-])cn1
InChIInChI=1S/C8H10N8O2/c1-15-3-5(2-12-15)13-7-6(16(17)18)8(14-9)11-4-10-7/h2-4H,9H2,1H3,(H2,10,11,13,14)
InChIKeyQSMSOVIHEKCRKU-UHFFFAOYSA-N
MW250.22 g/mol
LogP0.15
Rot. Bonds4

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

6-hydrazinyl-N-(1-methylpyrazol-4-yl)-5-nitropyrimidin-4-amine (PubChem CID 80930058) has the molecular formula C8H10N8O2 and a molecular weight of 250.22 g/mol. Its IUPAC name is 6-hydrazinyl-N-(1-methylpyrazol-4-yl)-5-nitropyrimidin-4-amine.

Molecular Properties

Compound Name6-hydrazinyl-N-(1-methylpyrazol-4-yl)-5-nitropyrimidin-4-amine
PubChem CID80930058
Molecular FormulaC8H10N8O2
Molecular Weight250.22 g/mol
Exact Mass250.09
IUPAC Name6-hydrazinyl-N-(1-methylpyrazol-4-yl)-5-nitropyrimidin-4-amine
SMILESCn1cc(Nc2ncnc(NN)c2[N+](=O)[O-])cn1
InChIInChI=1S/C8H10N8O2/c1-15-3-5(2-12-15)13-7-6(16(17)18)8(14-9)11-4-10-7/h2-4H,9H2,1H3,(H2,10,11,13,14)
InChIKeyQSMSOVIHEKCRKU-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'}

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Related Compounds

N-(3,5-dichlorophenyl)-6-hydrazinyl-5-nitropyrimidin-4-amine
CID 23483587
N-(3-bromo-5-methylphenyl)-6-hydrazinyl-5-nitropyrimidin-4-amine
CID 107581080
N-(3,5-dichloro-4-fluorophenyl)-6-hydrazinyl-5-nitropyrimidin-4-amine
CID 107581042
4-[(6-hydrazinyl-5-nitropyrimidin-4-yl)amino]benzoic acid
CID 22534779
6-hydrazinyl-N-(5-methyl-2-pyridinyl)-5-nitropyrimidin-4-amine
CID 22534751
N-(4-bromo-3-methylphenyl)-6-hydrazinyl-5-nitropyrimidin-4-amine
CID 80920273
1-methyl-N-(1-methylpyrazol-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 43543834
N-(4-bromo-3-chlorophenyl)-6-hydrazinyl-5-nitropyrimidin-4-amine
CID 107617966
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
N-(1-ethylpyrazol-3-yl)-6-hydrazinyl-5-nitropyrimidin-4-amine
CID 114250765
6-hydrazinyl-N-(2-methylpropyl)-5-nitropyrimidin-4-amine
CID 80932931

Frequently Asked Questions

What is the IUPAC name of 6-hydrazinyl-N-(1-methylpyrazol-4-yl)-5-nitropyrimidin-4-amine?
The IUPAC name of 6-hydrazinyl-N-(1-methylpyrazol-4-yl)-5-nitropyrimidin-4-amine (CID 80930058) is 6-hydrazinyl-N-(1-methylpyrazol-4-yl)-5-nitropyrimidin-4-amine.
What is the SMILES notation for 6-hydrazinyl-N-(1-methylpyrazol-4-yl)-5-nitropyrimidin-4-amine?
The canonical SMILES for 6-hydrazinyl-N-(1-methylpyrazol-4-yl)-5-nitropyrimidin-4-amine is Cn1cc(Nc2ncnc(NN)c2[N+](=O)[O-])cn1.
What is the InChIKey of 6-hydrazinyl-N-(1-methylpyrazol-4-yl)-5-nitropyrimidin-4-amine?
The InChIKey is QSMSOVIHEKCRKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N8O2/c1-15-3-5(2-12-15)13-7-6(16(17)18)8(14-9)11-4-10-7/h2-4H,9H2,1H3,(H2,10,11,13,14).
What are the key properties of 6-hydrazinyl-N-(1-methylpyrazol-4-yl)-5-nitropyrimidin-4-amine?
6-hydrazinyl-N-(1-methylpyrazol-4-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-4-yl)-5-nitropyrimidin-4-amine is sourced from PubChem (CID 80930058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).