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

C15H14N6O2 — CID 71996316

IUPAC5-nitro-N-[1-phenyl-2-(1,2,4-triazol-1-yl)ethyl]pyridin-2-amine
SMILESO=[N+]([O-])c1ccc(NC(Cn2cncn2)c2ccccc2)nc1
InChIInChI=1S/C15H14N6O2/c22-21(23)13-6-7-15(17-8-13)19-14(9-20-11-16-10-18-20)12-4-2-1-3-5-12/h1-8,10-11,14H,9H2,(H,17,19)
InChIKeyPZCJHPTWQQQKEC-UHFFFAOYSA-N
MW310.32 g/mol
LogP2.43
Rot. Bonds6

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

5-nitro-N-[1-phenyl-2-(1,2,4-triazol-1-yl)ethyl]pyridin-2-amine (PubChem CID 71996316) has the molecular formula C15H14N6O2 and a molecular weight of 310.32 g/mol. Its IUPAC name is 5-nitro-N-[1-phenyl-2-(1,2,4-triazol-1-yl)ethyl]pyridin-2-amine.

Molecular Properties

Compound Name5-nitro-N-[1-phenyl-2-(1,2,4-triazol-1-yl)ethyl]pyridin-2-amine
PubChem CID71996316
Molecular FormulaC15H14N6O2
Molecular Weight310.32 g/mol
Exact Mass310.12
IUPAC Name5-nitro-N-[1-phenyl-2-(1,2,4-triazol-1-yl)ethyl]pyridin-2-amine
SMILESO=[N+]([O-])c1ccc(NC(Cn2cncn2)c2ccccc2)nc1
InChIInChI=1S/C15H14N6O2/c22-21(23)13-6-7-15(17-8-13)19-14(9-20-11-16-10-18-20)12-4-2-1-3-5-12/h1-8,10-11,14H,9H2,(H,17,19)
InChIKeyPZCJHPTWQQQKEC-UHFFFAOYSA-N
XLogP2.43
TPSA98.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.32
LogP ≤ 52.43
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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Frequently Asked Questions

What is the IUPAC name of 5-nitro-N-[1-phenyl-2-(1,2,4-triazol-1-yl)ethyl]pyridin-2-amine?
The IUPAC name of 5-nitro-N-[1-phenyl-2-(1,2,4-triazol-1-yl)ethyl]pyridin-2-amine (CID 71996316) is 5-nitro-N-[1-phenyl-2-(1,2,4-triazol-1-yl)ethyl]pyridin-2-amine.
What is the SMILES notation for 5-nitro-N-[1-phenyl-2-(1,2,4-triazol-1-yl)ethyl]pyridin-2-amine?
The canonical SMILES for 5-nitro-N-[1-phenyl-2-(1,2,4-triazol-1-yl)ethyl]pyridin-2-amine is O=[N+]([O-])c1ccc(NC(Cn2cncn2)c2ccccc2)nc1.
What is the InChIKey of 5-nitro-N-[1-phenyl-2-(1,2,4-triazol-1-yl)ethyl]pyridin-2-amine?
The InChIKey is PZCJHPTWQQQKEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N6O2/c22-21(23)13-6-7-15(17-8-13)19-14(9-20-11-16-10-18-20)12-4-2-1-3-5-12/h1-8,10-11,14H,9H2,(H,17,19).
What are the key properties of 5-nitro-N-[1-phenyl-2-(1,2,4-triazol-1-yl)ethyl]pyridin-2-amine?
5-nitro-N-[1-phenyl-2-(1,2,4-triazol-1-yl)ethyl]pyridin-2-amine has a molecular weight of 310.32 g/mol, XLogP of 2.43, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitro-N-[1-phenyl-2-(1,2,4-triazol-1-yl)ethyl]pyridin-2-amine is sourced from PubChem (CID 71996316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).