6-N-[(1-methylimidazol-2-yl)methyl]-4-nitropyridine-2,6-diamine

C10H12N6O2 — CID 114071172

IUPAC6-N-[(1-methylimidazol-2-yl)methyl]-4-nitropyridine-2,6-diamine
SMILESCn1ccnc1CNc1cc([N+](=O)[O-])cc(N)n1
InChIInChI=1S/C10H12N6O2/c1-15-3-2-12-10(15)6-13-9-5-7(16(17)18)4-8(11)14-9/h2-5H,6H2,1H3,(H3,11,13,14)
InChIKeyVTTKKZGGUXMGHM-UHFFFAOYSA-N
MW248.25 g/mol
LogP0.92
Rot. Bonds4

About 6-N-[(1-methylimidazol-2-yl)methyl]-4-nitropyridine-2,6-diamine

6-N-[(1-methylimidazol-2-yl)methyl]-4-nitropyridine-2,6-diamine (PubChem CID 114071172) has the molecular formula C10H12N6O2 and a molecular weight of 248.25 g/mol. Its IUPAC name is 6-N-[(1-methylimidazol-2-yl)methyl]-4-nitropyridine-2,6-diamine.

Molecular Properties

Compound Name6-N-[(1-methylimidazol-2-yl)methyl]-4-nitropyridine-2,6-diamine
PubChem CID114071172
Molecular FormulaC10H12N6O2
Molecular Weight248.25 g/mol
Exact Mass248.10
IUPAC Name6-N-[(1-methylimidazol-2-yl)methyl]-4-nitropyridine-2,6-diamine
SMILESCn1ccnc1CNc1cc([N+](=O)[O-])cc(N)n1
InChIInChI=1S/C10H12N6O2/c1-15-3-2-12-10(15)6-13-9-5-7(16(17)18)4-8(11)14-9/h2-5H,6H2,1H3,(H3,11,13,14)
InChIKeyVTTKKZGGUXMGHM-UHFFFAOYSA-N
XLogP0.92
TPSA111.90 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.25
LogP ≤ 50.92
H-Bond Donors ≤ 52
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 6-N-[(1-methylimidazol-2-yl)methyl]-4-nitropyridine-2,6-diamine with MolForge

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

Launch Full Analysis

Related Compounds

4-N-[(1-methylimidazol-2-yl)methyl]-2-propan-2-ylpyrimidine-4,6-diamine
CID 80957408
6-N-[(5-ethylthiophen-2-yl)methyl]-4-nitropyridine-2,6-diamine
CID 106015252
4-nitro-6-N-(pyridin-3-ylmethyl)pyridine-2,6-diamine
CID 114071056
2-methoxy-N-[(1-methylimidazol-2-yl)methyl]-4-nitroaniline
CID 62356749
6-methyl-N-[(1-methylimidazol-2-yl)methyl]-3-nitropyridin-2-amine
CID 81138648
2-chloro-6-methyl-N-[(1-methylimidazol-2-yl)methyl]pyrimidin-4-amine
CID 63294630
4-methyl-2-N-[(1-methylimidazol-2-yl)methyl]pyridine-2,5-diamine
CID 79175761
2-hydrazinyl-6-methyl-N-[(1-methylimidazol-2-yl)methyl]-5-nitropyrimidin-4-amine
CID 114045033
4-N-[(1-methylimidazol-2-yl)methyl]-5-nitro-6-N-propylpyrimidine-4,6-diamine
CID 80814642
6-N-ethyl-4-N-[(1-methylimidazol-2-yl)methyl]-2-propylpyrimidine-4,6-diamine
CID 80950520
2-hydrazinyl-N-[(1-methylimidazol-2-yl)methyl]-5-nitrobenzamide
CID 63293487
6-hydrazinyl-N-[(1-methylimidazol-2-yl)methyl]pyridin-2-amine
CID 80913707

Frequently Asked Questions

What is the IUPAC name of 6-N-[(1-methylimidazol-2-yl)methyl]-4-nitropyridine-2,6-diamine?
The IUPAC name of 6-N-[(1-methylimidazol-2-yl)methyl]-4-nitropyridine-2,6-diamine (CID 114071172) is 6-N-[(1-methylimidazol-2-yl)methyl]-4-nitropyridine-2,6-diamine.
What is the SMILES notation for 6-N-[(1-methylimidazol-2-yl)methyl]-4-nitropyridine-2,6-diamine?
The canonical SMILES for 6-N-[(1-methylimidazol-2-yl)methyl]-4-nitropyridine-2,6-diamine is Cn1ccnc1CNc1cc([N+](=O)[O-])cc(N)n1.
What is the InChIKey of 6-N-[(1-methylimidazol-2-yl)methyl]-4-nitropyridine-2,6-diamine?
The InChIKey is VTTKKZGGUXMGHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N6O2/c1-15-3-2-12-10(15)6-13-9-5-7(16(17)18)4-8(11)14-9/h2-5H,6H2,1H3,(H3,11,13,14).
What are the key properties of 6-N-[(1-methylimidazol-2-yl)methyl]-4-nitropyridine-2,6-diamine?
6-N-[(1-methylimidazol-2-yl)methyl]-4-nitropyridine-2,6-diamine has a molecular weight of 248.25 g/mol, XLogP of 0.92, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[(1-methylimidazol-2-yl)methyl]-4-nitropyridine-2,6-diamine is sourced from PubChem (CID 114071172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).