3-nitro-N-[2-(triazol-1-yl)ethyl]pyridin-4-amine

C9H10N6O2 — CID 113375064

IUPAC3-nitro-N-[2-(triazol-1-yl)ethyl]pyridin-4-amine
SMILESO=[N+]([O-])c1cnccc1NCCn1ccnn1
InChIInChI=1S/C9H10N6O2/c16-15(17)9-7-10-2-1-8(9)11-3-5-14-6-4-12-13-14/h1-2,4,6-7H,3,5H2,(H,10,11)
InChIKeyCFALGQYKAYLZEH-UHFFFAOYSA-N
MW234.22 g/mol
LogP0.69
Rot. Bonds5

About 3-nitro-N-[2-(triazol-1-yl)ethyl]pyridin-4-amine

3-nitro-N-[2-(triazol-1-yl)ethyl]pyridin-4-amine (PubChem CID 113375064) has the molecular formula C9H10N6O2 and a molecular weight of 234.22 g/mol. Its IUPAC name is 3-nitro-N-[2-(triazol-1-yl)ethyl]pyridin-4-amine.

Molecular Properties

Compound Name3-nitro-N-[2-(triazol-1-yl)ethyl]pyridin-4-amine
PubChem CID113375064
Molecular FormulaC9H10N6O2
Molecular Weight234.22 g/mol
Exact Mass234.09
IUPAC Name3-nitro-N-[2-(triazol-1-yl)ethyl]pyridin-4-amine
SMILESO=[N+]([O-])c1cnccc1NCCn1ccnn1
InChIInChI=1S/C9H10N6O2/c16-15(17)9-7-10-2-1-8(9)11-3-5-14-6-4-12-13-14/h1-2,4,6-7H,3,5H2,(H,10,11)
InChIKeyCFALGQYKAYLZEH-UHFFFAOYSA-N
XLogP0.69
TPSA98.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.22
LogP ≤ 50.69
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

3-nitro-N-(2-pyrazol-1-ylethyl)pyridin-4-amine
CID 54951342
3-nitro-N-(2-thiomorpholin-4-ylethyl)pyridin-4-amine
CID 113234717
N-(3-imidazol-1-ylpropyl)-3-nitropyridin-4-amine
CID 28994217
N-[2-(1-methylimidazol-2-yl)ethyl]-3-nitropyridin-4-amine
CID 61211864
4-[(3-nitro-4-pyridinyl)amino]butan-1-ol
CID 19864513
6-[(3-nitro-4-pyridinyl)amino]hexan-1-ol
CID 103918222
N-[3-(4-methylpiperazin-1-yl)propyl]-3-nitropyridin-4-amine
CID 134098351
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-nitropyridin-4-amine
CID 47092350
3-bromo-N-[3-(triazol-1-yl)propyl]pyridin-4-amine
CID 104777254
N-cyclopropyl-N'-(3-nitro-4-pyridinyl)ethane-1,2-diamine
CID 62663408
3-nitro-N-(3-piperazin-1-ylpropyl)pyridin-4-amine
CID 43443436
N-methyl-2-[(3-nitro-4-pyridinyl)amino]ethanesulfonamide
CID 114175321

Frequently Asked Questions

What is the IUPAC name of 3-nitro-N-[2-(triazol-1-yl)ethyl]pyridin-4-amine?
The IUPAC name of 3-nitro-N-[2-(triazol-1-yl)ethyl]pyridin-4-amine (CID 113375064) is 3-nitro-N-[2-(triazol-1-yl)ethyl]pyridin-4-amine.
What is the SMILES notation for 3-nitro-N-[2-(triazol-1-yl)ethyl]pyridin-4-amine?
The canonical SMILES for 3-nitro-N-[2-(triazol-1-yl)ethyl]pyridin-4-amine is O=[N+]([O-])c1cnccc1NCCn1ccnn1.
What is the InChIKey of 3-nitro-N-[2-(triazol-1-yl)ethyl]pyridin-4-amine?
The InChIKey is CFALGQYKAYLZEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N6O2/c16-15(17)9-7-10-2-1-8(9)11-3-5-14-6-4-12-13-14/h1-2,4,6-7H,3,5H2,(H,10,11).
What are the key properties of 3-nitro-N-[2-(triazol-1-yl)ethyl]pyridin-4-amine?
3-nitro-N-[2-(triazol-1-yl)ethyl]pyridin-4-amine has a molecular weight of 234.22 g/mol, XLogP of 0.69, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-nitro-N-[2-(triazol-1-yl)ethyl]pyridin-4-amine is sourced from PubChem (CID 113375064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).