4-(triazolo[4,5-c]pyridin-1-yl)aniline

C11H9N5 — CID 117159529

IUPAC4-(triazolo[4,5-c]pyridin-1-yl)aniline
SMILESNc1ccc(-n2nnc3cnccc32)cc1
InChIInChI=1S/C11H9N5/c12-8-1-3-9(4-2-8)16-11-5-6-13-7-10(11)14-15-16/h1-7H,12H2
InChIKeyBWLBNRAWKULOMU-UHFFFAOYSA-N
MW211.23 g/mol
LogP1.40
Rot. Bonds1

About 4-(triazolo[4,5-c]pyridin-1-yl)aniline

4-(triazolo[4,5-c]pyridin-1-yl)aniline (PubChem CID 117159529) has the molecular formula C11H9N5 and a molecular weight of 211.23 g/mol. Its IUPAC name is 4-(triazolo[4,5-c]pyridin-1-yl)aniline.

Molecular Properties

Compound Name4-(triazolo[4,5-c]pyridin-1-yl)aniline
PubChem CID117159529
Molecular FormulaC11H9N5
Molecular Weight211.23 g/mol
Exact Mass211.09
IUPAC Name4-(triazolo[4,5-c]pyridin-1-yl)aniline
SMILESNc1ccc(-n2nnc3cnccc32)cc1
InChIInChI=1S/C11H9N5/c12-8-1-3-9(4-2-8)16-11-5-6-13-7-10(11)14-15-16/h1-7H,12H2
InChIKeyBWLBNRAWKULOMU-UHFFFAOYSA-N
XLogP1.40
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.23
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-(3-methoxyphenyl)triazolo[4,5-c]pyridine
CID 117159499
1-(2-bromophenyl)triazolo[4,5-c]pyridine
CID 117159503
1-(1-methylpyrazol-3-yl)triazolo[4,5-c]pyridine
CID 90410369
ethane;1-methyltriazolo[4,5-c]pyridine
CID 142555697
N-methyltriazolo[4,5-c]pyridin-1-amine
CID 70365902
1-(5-fluoro-4-methyl-2-pyridinyl)triazolo[4,5-c]pyridine
CID 90460565
1-pyridin-4-yl-5-(trifluoromethyl)benzotriazole
CID 134298648
1-(4-imidazol-1-ylphenyl)benzotriazole
CID 71124200
6-(benzotriazol-1-yl)pyridin-3-amine
CID 29082003
5-[4-[4-(benzotriazol-1-yl)phenyl]phenyl]-N,N-diphenylpyrido[4,3-b]indol-8-amine
CID 135252617
4-[2-(1-propan-2-ylimidazo[4,5-c]pyridin-2-yl)ethyl]aniline
CID 115339638
(1S)-1-[4-(5-methoxybenzotriazol-1-yl)phenyl]ethanamine
CID 164599725

Frequently Asked Questions

What is the IUPAC name of 4-(triazolo[4,5-c]pyridin-1-yl)aniline?
The IUPAC name of 4-(triazolo[4,5-c]pyridin-1-yl)aniline (CID 117159529) is 4-(triazolo[4,5-c]pyridin-1-yl)aniline.
What is the SMILES notation for 4-(triazolo[4,5-c]pyridin-1-yl)aniline?
The canonical SMILES for 4-(triazolo[4,5-c]pyridin-1-yl)aniline is Nc1ccc(-n2nnc3cnccc32)cc1.
What is the InChIKey of 4-(triazolo[4,5-c]pyridin-1-yl)aniline?
The InChIKey is BWLBNRAWKULOMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N5/c12-8-1-3-9(4-2-8)16-11-5-6-13-7-10(11)14-15-16/h1-7H,12H2.
What are the key properties of 4-(triazolo[4,5-c]pyridin-1-yl)aniline?
4-(triazolo[4,5-c]pyridin-1-yl)aniline has a molecular weight of 211.23 g/mol, XLogP of 1.40, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(triazolo[4,5-c]pyridin-1-yl)aniline is sourced from PubChem (CID 117159529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).