[4-methyl-1-(5-methyl-4-nitro-2-pyridinyl)piperazin-2-yl]methanamine

C12H19N5O2 — CID 83271655

IUPAC[4-methyl-1-(5-methyl-4-nitro-2-pyridinyl)piperazin-2-yl]methanamine
SMILESCc1cnc(N2CCN(C)CC2CN)cc1[N+](=O)[O-]
InChIInChI=1S/C12H19N5O2/c1-9-7-14-12(5-11(9)17(18)19)16-4-3-15(2)8-10(16)6-13/h5,7,10H,3-4,6,8,13H2,1-2H3
InChIKeyJFFUBBAEFTZUKF-UHFFFAOYSA-N
MW265.32 g/mol
LogP0.38
Rot. Bonds3

About [4-methyl-1-(5-methyl-4-nitro-2-pyridinyl)piperazin-2-yl]methanamine

[4-methyl-1-(5-methyl-4-nitro-2-pyridinyl)piperazin-2-yl]methanamine (PubChem CID 83271655) has the molecular formula C12H19N5O2 and a molecular weight of 265.32 g/mol. Its IUPAC name is [4-methyl-1-(5-methyl-4-nitro-2-pyridinyl)piperazin-2-yl]methanamine.

Molecular Properties

Compound Name[4-methyl-1-(5-methyl-4-nitro-2-pyridinyl)piperazin-2-yl]methanamine
PubChem CID83271655
Molecular FormulaC12H19N5O2
Molecular Weight265.32 g/mol
Exact Mass265.15
IUPAC Name[4-methyl-1-(5-methyl-4-nitro-2-pyridinyl)piperazin-2-yl]methanamine
SMILESCc1cnc(N2CCN(C)CC2CN)cc1[N+](=O)[O-]
InChIInChI=1S/C12H19N5O2/c1-9-7-14-12(5-11(9)17(18)19)16-4-3-15(2)8-10(16)6-13/h5,7,10H,3-4,6,8,13H2,1-2H3
InChIKeyJFFUBBAEFTZUKF-UHFFFAOYSA-N
XLogP0.38
TPSA88.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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 [4-methyl-1-(5-methyl-4-nitro-2-pyridinyl)piperazin-2-yl]methanamine?
The IUPAC name of [4-methyl-1-(5-methyl-4-nitro-2-pyridinyl)piperazin-2-yl]methanamine (CID 83271655) is [4-methyl-1-(5-methyl-4-nitro-2-pyridinyl)piperazin-2-yl]methanamine.
What is the SMILES notation for [4-methyl-1-(5-methyl-4-nitro-2-pyridinyl)piperazin-2-yl]methanamine?
The canonical SMILES for [4-methyl-1-(5-methyl-4-nitro-2-pyridinyl)piperazin-2-yl]methanamine is Cc1cnc(N2CCN(C)CC2CN)cc1[N+](=O)[O-].
What is the InChIKey of [4-methyl-1-(5-methyl-4-nitro-2-pyridinyl)piperazin-2-yl]methanamine?
The InChIKey is JFFUBBAEFTZUKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O2/c1-9-7-14-12(5-11(9)17(18)19)16-4-3-15(2)8-10(16)6-13/h5,7,10H,3-4,6,8,13H2,1-2H3.
What are the key properties of [4-methyl-1-(5-methyl-4-nitro-2-pyridinyl)piperazin-2-yl]methanamine?
[4-methyl-1-(5-methyl-4-nitro-2-pyridinyl)piperazin-2-yl]methanamine has a molecular weight of 265.32 g/mol, XLogP of 0.38, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-1-(5-methyl-4-nitro-2-pyridinyl)piperazin-2-yl]methanamine is sourced from PubChem (CID 83271655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).