1-[(1-methylimidazol-2-yl)methyl]-4-(4-methyl-5-nitro-2-pyridinyl)piperazine

C15H20N6O2 — CID 133329602

IUPAC1-[(1-methylimidazol-2-yl)methyl]-4-(4-methyl-5-nitro-2-pyridinyl)piperazine
SMILESCc1cc(N2CCN(Cc3nccn3C)CC2)ncc1[N+](=O)[O-]
InChIInChI=1S/C15H20N6O2/c1-12-9-14(17-10-13(12)21(22)23)20-7-5-19(6-8-20)11-15-16-3-4-18(15)2/h3-4,9-10H,5-8,11H2,1-2H3
InChIKeyFQDZJVHBLNFXKC-UHFFFAOYSA-N
MW316.37 g/mol
LogP1.35
Rot. Bonds4

About 1-[(1-methylimidazol-2-yl)methyl]-4-(4-methyl-5-nitro-2-pyridinyl)piperazine

1-[(1-methylimidazol-2-yl)methyl]-4-(4-methyl-5-nitro-2-pyridinyl)piperazine (PubChem CID 133329602) has the molecular formula C15H20N6O2 and a molecular weight of 316.37 g/mol. Its IUPAC name is 1-[(1-methylimidazol-2-yl)methyl]-4-(4-methyl-5-nitro-2-pyridinyl)piperazine.

Molecular Properties

Compound Name1-[(1-methylimidazol-2-yl)methyl]-4-(4-methyl-5-nitro-2-pyridinyl)piperazine
PubChem CID133329602
Molecular FormulaC15H20N6O2
Molecular Weight316.37 g/mol
Exact Mass316.16
IUPAC Name1-[(1-methylimidazol-2-yl)methyl]-4-(4-methyl-5-nitro-2-pyridinyl)piperazine
SMILESCc1cc(N2CCN(Cc3nccn3C)CC2)ncc1[N+](=O)[O-]
InChIInChI=1S/C15H20N6O2/c1-12-9-14(17-10-13(12)21(22)23)20-7-5-19(6-8-20)11-15-16-3-4-18(15)2/h3-4,9-10H,5-8,11H2,1-2H3
InChIKeyFQDZJVHBLNFXKC-UHFFFAOYSA-N
XLogP1.35
TPSA80.33 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.37
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 1-[(1-methylimidazol-2-yl)methyl]-4-(4-methyl-5-nitro-2-pyridinyl)piperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(1-methylimidazol-2-yl)methyl]-4-(4-methyl-5-nitro-2-pyridinyl)piperazine?
The IUPAC name of 1-[(1-methylimidazol-2-yl)methyl]-4-(4-methyl-5-nitro-2-pyridinyl)piperazine (CID 133329602) is 1-[(1-methylimidazol-2-yl)methyl]-4-(4-methyl-5-nitro-2-pyridinyl)piperazine.
What is the SMILES notation for 1-[(1-methylimidazol-2-yl)methyl]-4-(4-methyl-5-nitro-2-pyridinyl)piperazine?
The canonical SMILES for 1-[(1-methylimidazol-2-yl)methyl]-4-(4-methyl-5-nitro-2-pyridinyl)piperazine is Cc1cc(N2CCN(Cc3nccn3C)CC2)ncc1[N+](=O)[O-].
What is the InChIKey of 1-[(1-methylimidazol-2-yl)methyl]-4-(4-methyl-5-nitro-2-pyridinyl)piperazine?
The InChIKey is FQDZJVHBLNFXKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6O2/c1-12-9-14(17-10-13(12)21(22)23)20-7-5-19(6-8-20)11-15-16-3-4-18(15)2/h3-4,9-10H,5-8,11H2,1-2H3.
What are the key properties of 1-[(1-methylimidazol-2-yl)methyl]-4-(4-methyl-5-nitro-2-pyridinyl)piperazine?
1-[(1-methylimidazol-2-yl)methyl]-4-(4-methyl-5-nitro-2-pyridinyl)piperazine has a molecular weight of 316.37 g/mol, XLogP of 1.35, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-methylimidazol-2-yl)methyl]-4-(4-methyl-5-nitro-2-pyridinyl)piperazine is sourced from PubChem (CID 133329602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).