5-nitro-6-phenyl-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]pyridin-2-amine

C20H16N6O2 — CID 133409271

IUPAC5-nitro-6-phenyl-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]pyridin-2-amine
SMILESO=[N+]([O-])c1ccc(NCc2nncn2-c2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C20H16N6O2/c27-26(28)17-11-12-18(23-20(17)15-7-3-1-4-8-15)21-13-19-24-22-14-25(19)16-9-5-2-6-10-16/h1-12,14H,13H2,(H,21,23)
InChIKeyUYDCKUHVVUYIMG-UHFFFAOYSA-N
MW372.39 g/mol
LogP3.85
Rot. Bonds6

About 5-nitro-6-phenyl-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]pyridin-2-amine

5-nitro-6-phenyl-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]pyridin-2-amine (PubChem CID 133409271) has the molecular formula C20H16N6O2 and a molecular weight of 372.39 g/mol. Its IUPAC name is 5-nitro-6-phenyl-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]pyridin-2-amine.

Molecular Properties

Compound Name5-nitro-6-phenyl-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]pyridin-2-amine
PubChem CID133409271
Molecular FormulaC20H16N6O2
Molecular Weight372.39 g/mol
Exact Mass372.13
IUPAC Name5-nitro-6-phenyl-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]pyridin-2-amine
SMILESO=[N+]([O-])c1ccc(NCc2nncn2-c2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C20H16N6O2/c27-26(28)17-11-12-18(23-20(17)15-7-3-1-4-8-15)21-13-19-24-22-14-25(19)16-9-5-2-6-10-16/h1-12,14H,13H2,(H,21,23)
InChIKeyUYDCKUHVVUYIMG-UHFFFAOYSA-N
XLogP3.85
TPSA98.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.39
LogP ≤ 53.85
H-Bond Donors ≤ 51
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'}

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Related Compounds

4-[[(5-nitro-6-phenyl-2-pyridinyl)amino]methyl]benzenesulfonamide
CID 133407312
N-[2-[(5-nitro-6-phenyl-2-pyridinyl)amino]ethyl]acetamide
CID 133407553
1-[4-[2-[(5-nitro-6-phenyl-2-pyridinyl)amino]ethyl]piperazin-1-yl]ethanone
CID 133409481
N-methyl-3-[[(5-nitro-6-phenyl-2-pyridinyl)amino]methyl]benzamide
CID 133409032
N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-5-nitro-6-phenylpyridin-2-amine
CID 133459077
6-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-3-nitropyridine-2,6-diamine
CID 106303421
N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]-2,6-di(propan-2-yl)pyrimidin-4-amine
CID 133409272
2-[(5-nitro-6-phenyl-2-pyridinyl)amino]-N-(2,4,6-trimethylphenyl)acetamide
CID 133407596
6-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-3-nitro-2-phenylpyridine
CID 133409043
5-bromo-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]pyridin-3-amine
CID 84595860
2-[4-(5-nitro-6-phenyl-2-pyridinyl)piperazin-1-yl]acetamide
CID 133408202
4-[(4-phenyl-1,2,4-triazol-3-yl)methylamino]quinoline-3-carbonitrile
CID 75471548

Frequently Asked Questions

What is the IUPAC name of 5-nitro-6-phenyl-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]pyridin-2-amine?
The IUPAC name of 5-nitro-6-phenyl-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]pyridin-2-amine (CID 133409271) is 5-nitro-6-phenyl-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]pyridin-2-amine.
What is the SMILES notation for 5-nitro-6-phenyl-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]pyridin-2-amine?
The canonical SMILES for 5-nitro-6-phenyl-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]pyridin-2-amine is O=[N+]([O-])c1ccc(NCc2nncn2-c2ccccc2)nc1-c1ccccc1.
What is the InChIKey of 5-nitro-6-phenyl-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]pyridin-2-amine?
The InChIKey is UYDCKUHVVUYIMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N6O2/c27-26(28)17-11-12-18(23-20(17)15-7-3-1-4-8-15)21-13-19-24-22-14-25(19)16-9-5-2-6-10-16/h1-12,14H,13H2,(H,21,23).
What are the key properties of 5-nitro-6-phenyl-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]pyridin-2-amine?
5-nitro-6-phenyl-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]pyridin-2-amine has a molecular weight of 372.39 g/mol, XLogP of 3.85, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitro-6-phenyl-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]pyridin-2-amine is sourced from PubChem (CID 133409271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).