2-(2-nitrophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine

C12H13N5O2 — CID 82567763

IUPAC2-(2-nitrophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine
SMILESNC1CCCn2nc(-c3ccccc3[N+](=O)[O-])nc21
InChIInChI=1S/C12H13N5O2/c13-9-5-3-7-16-12(9)14-11(15-16)8-4-1-2-6-10(8)17(18)19/h1-2,4,6,9H,3,5,7,13H2
InChIKeyPEYXWIQEMYOTNM-UHFFFAOYSA-N
MW259.27 g/mol
LogP1.65
Rot. Bonds2

About 2-(2-nitrophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine

2-(2-nitrophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine (PubChem CID 82567763) has the molecular formula C12H13N5O2 and a molecular weight of 259.27 g/mol. Its IUPAC name is 2-(2-nitrophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine.

Molecular Properties

Compound Name2-(2-nitrophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine
PubChem CID82567763
Molecular FormulaC12H13N5O2
Molecular Weight259.27 g/mol
Exact Mass259.11
IUPAC Name2-(2-nitrophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine
SMILESNC1CCCn2nc(-c3ccccc3[N+](=O)[O-])nc21
InChIInChI=1S/C12H13N5O2/c13-9-5-3-7-16-12(9)14-11(15-16)8-4-1-2-6-10(8)17(18)19/h1-2,4,6,9H,3,5,7,13H2
InChIKeyPEYXWIQEMYOTNM-UHFFFAOYSA-N
XLogP1.65
TPSA99.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.27
LogP ≤ 51.65
H-Bond Donors ≤ 51
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

3-(8-amino-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)benzoic acid
CID 117158357
2-[3-(2-nitrophenyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-ol
CID 63349196
cyclopropanamine;1-fluoro-2-nitrobenzene
CID 157106778
1-cyclopropyl-1-[3-(2-nitrophenyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 64668290
2-(methoxymethyl)-N-(3-nitro-2-pyridinyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine
CID 133364845
1-[(2-nitrophenyl)methyl]piperidin-4-amine
CID 29009713
3-(2-nitrophenyl)-5-[(2S)-piperidin-2-yl]-1,2,4-oxadiazole
CID 104914897
methyl 2-[[2-methyl-5-(2-nitrophenyl)-1,2,4-triazol-3-yl]oxy]propanoate
CID 10063735
4-[(4-cyclohexylpiperazin-1-yl)methyl]-2-(2-nitrophenyl)-1,3-thiazole
CID 73387603
1-methyl-3-(2-nitrophenyl)-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazole
CID 21283770
6-(3-aminopiperidin-1-yl)-3-nitropyridine-2-carbonitrile
CID 103472225
2-(2-nitrophenyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 83190548

Frequently Asked Questions

What is the IUPAC name of 2-(2-nitrophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine?
The IUPAC name of 2-(2-nitrophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine (CID 82567763) is 2-(2-nitrophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine.
What is the SMILES notation for 2-(2-nitrophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine?
The canonical SMILES for 2-(2-nitrophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine is NC1CCCn2nc(-c3ccccc3[N+](=O)[O-])nc21.
What is the InChIKey of 2-(2-nitrophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine?
The InChIKey is PEYXWIQEMYOTNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5O2/c13-9-5-3-7-16-12(9)14-11(15-16)8-4-1-2-6-10(8)17(18)19/h1-2,4,6,9H,3,5,7,13H2.
What are the key properties of 2-(2-nitrophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine?
2-(2-nitrophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine has a molecular weight of 259.27 g/mol, XLogP of 1.65, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-nitrophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine is sourced from PubChem (CID 82567763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).