5-methyl-4-nitropyrazolidin-3-amine

C4H10N4O2 — CID 168833234

IUPAC5-methyl-4-nitropyrazolidin-3-amine
SMILESCC1NNC(N)C1[N+](=O)[O-]
InChIInChI=1S/C4H10N4O2/c1-2-3(8(9)10)4(5)7-6-2/h2-4,6-7H,5H2,1H3
InChIKeyUBUFUPFMBXFLRA-UHFFFAOYSA-N
MW146.15 g/mol
LogP-1.59
Rot. Bonds1

About 5-methyl-4-nitropyrazolidin-3-amine

5-methyl-4-nitropyrazolidin-3-amine (PubChem CID 168833234) has the molecular formula C4H10N4O2 and a molecular weight of 146.15 g/mol. Its IUPAC name is 5-methyl-4-nitropyrazolidin-3-amine.

Molecular Properties

Compound Name5-methyl-4-nitropyrazolidin-3-amine
PubChem CID168833234
Molecular FormulaC4H10N4O2
Molecular Weight146.15 g/mol
Exact Mass146.08
IUPAC Name5-methyl-4-nitropyrazolidin-3-amine
SMILESCC1NNC(N)C1[N+](=O)[O-]
InChIInChI=1S/C4H10N4O2/c1-2-3(8(9)10)4(5)7-6-2/h2-4,6-7H,5H2,1H3
InChIKeyUBUFUPFMBXFLRA-UHFFFAOYSA-N
XLogP-1.59
TPSA93.22 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.15
LogP ≤ 5-1.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-nitropyrazolidin-3-amine?
The IUPAC name of 5-methyl-4-nitropyrazolidin-3-amine (CID 168833234) is 5-methyl-4-nitropyrazolidin-3-amine.
What is the SMILES notation for 5-methyl-4-nitropyrazolidin-3-amine?
The canonical SMILES for 5-methyl-4-nitropyrazolidin-3-amine is CC1NNC(N)C1[N+](=O)[O-].
What is the InChIKey of 5-methyl-4-nitropyrazolidin-3-amine?
The InChIKey is UBUFUPFMBXFLRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10N4O2/c1-2-3(8(9)10)4(5)7-6-2/h2-4,6-7H,5H2,1H3.
What are the key properties of 5-methyl-4-nitropyrazolidin-3-amine?
5-methyl-4-nitropyrazolidin-3-amine has a molecular weight of 146.15 g/mol, XLogP of -1.59, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-nitropyrazolidin-3-amine is sourced from PubChem (CID 168833234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).