3-[(Z)-2-(5-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethenyl]aniline

C14H11ClN4 — CID 82343022

IUPAC3-[(Z)-2-(5-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethenyl]aniline
SMILESNc1cccc(/C=C\c2nnc3cccc(Cl)n23)c1
InChIInChI=1S/C14H11ClN4/c15-12-5-2-6-13-17-18-14(19(12)13)8-7-10-3-1-4-11(16)9-10/h1-9H,16H2/b8-7-
InChIKeyJDHAZVDFAMUPPV-FPLPWBNLSA-N
MW270.72 g/mol
LogP3.14
Rot. Bonds2

About 3-[(Z)-2-(5-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethenyl]aniline

3-[(Z)-2-(5-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethenyl]aniline (PubChem CID 82343022) has the molecular formula C14H11ClN4 and a molecular weight of 270.72 g/mol. Its IUPAC name is 3-[(Z)-2-(5-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethenyl]aniline.

Molecular Properties

Compound Name3-[(Z)-2-(5-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethenyl]aniline
PubChem CID82343022
Molecular FormulaC14H11ClN4
Molecular Weight270.72 g/mol
Exact Mass270.07
IUPAC Name3-[(Z)-2-(5-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethenyl]aniline
SMILESNc1cccc(/C=C\c2nnc3cccc(Cl)n23)c1
InChIInChI=1S/C14H11ClN4/c15-12-5-2-6-13-17-18-14(19(12)13)8-7-10-3-1-4-11(16)9-10/h1-9H,16H2/b8-7-
InChIKeyJDHAZVDFAMUPPV-FPLPWBNLSA-N
XLogP3.14
TPSA56.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.72
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-[(Z)-2-pyridin-3-ylethenyl]aniline
CID 101109294
3-[(Z)-2-(3-nitrophenyl)ethenyl]aniline
CID 92527304
1-(3-aminophenyl)penta-1,4-dien-3-one
CID 175255088
3-[(E)-2-[5-[(E)-2-pyridin-4-ylethenyl]-3-pyridinyl]ethenyl]aniline
CID 54756481
3-[(E)-2-(1,2,4-oxadiazol-3-yl)ethenyl]aniline
CID 21448290
3-[2-(2-methylphenyl)ethenyl]aniline
CID 86115385
3-[(E)-2-methoxyethenyl]aniline
CID 71681260
3-[2-(3-aminophenyl)ethenyl]-4,5-dihydro-1H-pyridazin-6-one
CID 70436853
3-[(E)-2-(3-nitrophenyl)ethenyl]-[1,2,4]triazolo[4,3-a]pyridine
CID 6199001
3-methanimidoylaniline
CID 55281167
3-[(E)-2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethenyl]aniline
CID 115340239
5-amino-2-[2-(3-aminophenyl)ethenyl]benzenesulfonic acid
CID 172811149

Frequently Asked Questions

What is the IUPAC name of 3-[(Z)-2-(5-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethenyl]aniline?
The IUPAC name of 3-[(Z)-2-(5-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethenyl]aniline (CID 82343022) is 3-[(Z)-2-(5-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethenyl]aniline.
What is the SMILES notation for 3-[(Z)-2-(5-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethenyl]aniline?
The canonical SMILES for 3-[(Z)-2-(5-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethenyl]aniline is Nc1cccc(/C=C\c2nnc3cccc(Cl)n23)c1.
What is the InChIKey of 3-[(Z)-2-(5-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethenyl]aniline?
The InChIKey is JDHAZVDFAMUPPV-FPLPWBNLSA-N. The full InChI is InChI=1S/C14H11ClN4/c15-12-5-2-6-13-17-18-14(19(12)13)8-7-10-3-1-4-11(16)9-10/h1-9H,16H2/b8-7-.
What are the key properties of 3-[(Z)-2-(5-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethenyl]aniline?
3-[(Z)-2-(5-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethenyl]aniline has a molecular weight of 270.72 g/mol, XLogP of 3.14, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(Z)-2-(5-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethenyl]aniline is sourced from PubChem (CID 82343022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).