6-(1H-imidazol-5-ylmethylamino)-5-nitropyridine-3-carbonitrile

C10H8N6O2 — CID 103471795

IUPAC6-(1H-imidazol-5-ylmethylamino)-5-nitropyridine-3-carbonitrile
SMILESN#Cc1cnc(NCc2cnc[nH]2)c([N+](=O)[O-])c1
InChIInChI=1S/C10H8N6O2/c11-2-7-1-9(16(17)18)10(13-3-7)14-5-8-4-12-6-15-8/h1,3-4,6H,5H2,(H,12,15)(H,13,14)
InChIKeyVNTPOHYAMOROJZ-UHFFFAOYSA-N
MW244.21 g/mol
LogP1.20
Rot. Bonds4

About 6-(1H-imidazol-5-ylmethylamino)-5-nitropyridine-3-carbonitrile

6-(1H-imidazol-5-ylmethylamino)-5-nitropyridine-3-carbonitrile (PubChem CID 103471795) has the molecular formula C10H8N6O2 and a molecular weight of 244.21 g/mol. Its IUPAC name is 6-(1H-imidazol-5-ylmethylamino)-5-nitropyridine-3-carbonitrile.

Molecular Properties

Compound Name6-(1H-imidazol-5-ylmethylamino)-5-nitropyridine-3-carbonitrile
PubChem CID103471795
Molecular FormulaC10H8N6O2
Molecular Weight244.21 g/mol
Exact Mass244.07
IUPAC Name6-(1H-imidazol-5-ylmethylamino)-5-nitropyridine-3-carbonitrile
SMILESN#Cc1cnc(NCc2cnc[nH]2)c([N+](=O)[O-])c1
InChIInChI=1S/C10H8N6O2/c11-2-7-1-9(16(17)18)10(13-3-7)14-5-8-4-12-6-15-8/h1,3-4,6H,5H2,(H,12,15)(H,13,14)
InChIKeyVNTPOHYAMOROJZ-UHFFFAOYSA-N
XLogP1.20
TPSA120.53 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.21
LogP ≤ 51.20
H-Bond Donors ≤ 52
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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Related Compounds

6-hydrazinyl-5-nitropyridine-3-carbonitrile
CID 103470111
6-[(1,5-dimethylpyrazol-4-yl)methylamino]-5-nitropyridine-3-carbonitrile
CID 106048232
6-[(1-cyanocyclopropyl)methylamino]-5-nitropyridine-3-carbonitrile
CID 170427998
6-(cyclobutylmethylamino)-5-nitropyridine-3-carbonitrile
CID 103471221
6-[(5-bromo-2-fluorophenyl)methylamino]-5-nitropyridine-3-carbonitrile
CID 103471400
5-nitro-6-(oxetan-2-ylmethylamino)pyridine-3-carbonitrile
CID 170428144
6-[(4-hydroxy-2-methylbutan-2-yl)amino]-5-nitropyridine-3-carbonitrile
CID 103472091
5-nitro-6-(thian-4-ylmethylamino)pyridine-3-carbonitrile
CID 103472056
6-[(2-ethyl-4-hydroxybutyl)amino]-5-nitropyridine-3-carbonitrile
CID 103471860
6-[(5-cyano-3-nitro-2-pyridinyl)amino]-4-methylhexanoic acid
CID 103469962
6-(morpholin-3-ylmethylamino)-5-nitropyridine-3-carbonitrile
CID 103549150
6-(3-butoxypropylamino)-5-nitropyridine-3-carbonitrile
CID 103472042

Frequently Asked Questions

What is the IUPAC name of 6-(1H-imidazol-5-ylmethylamino)-5-nitropyridine-3-carbonitrile?
The IUPAC name of 6-(1H-imidazol-5-ylmethylamino)-5-nitropyridine-3-carbonitrile (CID 103471795) is 6-(1H-imidazol-5-ylmethylamino)-5-nitropyridine-3-carbonitrile.
What is the SMILES notation for 6-(1H-imidazol-5-ylmethylamino)-5-nitropyridine-3-carbonitrile?
The canonical SMILES for 6-(1H-imidazol-5-ylmethylamino)-5-nitropyridine-3-carbonitrile is N#Cc1cnc(NCc2cnc[nH]2)c([N+](=O)[O-])c1.
What is the InChIKey of 6-(1H-imidazol-5-ylmethylamino)-5-nitropyridine-3-carbonitrile?
The InChIKey is VNTPOHYAMOROJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N6O2/c11-2-7-1-9(16(17)18)10(13-3-7)14-5-8-4-12-6-15-8/h1,3-4,6H,5H2,(H,12,15)(H,13,14).
What are the key properties of 6-(1H-imidazol-5-ylmethylamino)-5-nitropyridine-3-carbonitrile?
6-(1H-imidazol-5-ylmethylamino)-5-nitropyridine-3-carbonitrile has a molecular weight of 244.21 g/mol, XLogP of 1.20, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1H-imidazol-5-ylmethylamino)-5-nitropyridine-3-carbonitrile is sourced from PubChem (CID 103471795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).