6-chloro-3-[(E)-2-phenylethenyl]-[1,2,4]triazolo[4,3-a]pyridin-8-amine

C14H11ClN4 — CID 39080115

IUPAC6-chloro-3-[(E)-2-phenylethenyl]-[1,2,4]triazolo[4,3-a]pyridin-8-amine
SMILESNc1cc(Cl)cn2c(/C=C/c3ccccc3)nnc12
InChIInChI=1S/C14H11ClN4/c15-11-8-12(16)14-18-17-13(19(14)9-11)7-6-10-4-2-1-3-5-10/h1-9H,16H2/b7-6+
InChIKeyJIJDPDLZBGFBLB-VOTSOKGWSA-N
MW270.72 g/mol
LogP3.14
Rot. Bonds2

About 6-chloro-3-[(E)-2-phenylethenyl]-[1,2,4]triazolo[4,3-a]pyridin-8-amine

6-chloro-3-[(E)-2-phenylethenyl]-[1,2,4]triazolo[4,3-a]pyridin-8-amine (PubChem CID 39080115) has the molecular formula C14H11ClN4 and a molecular weight of 270.72 g/mol. Its IUPAC name is 6-chloro-3-[(E)-2-phenylethenyl]-[1,2,4]triazolo[4,3-a]pyridin-8-amine.

Molecular Properties

Compound Name6-chloro-3-[(E)-2-phenylethenyl]-[1,2,4]triazolo[4,3-a]pyridin-8-amine
PubChem CID39080115
Molecular FormulaC14H11ClN4
Molecular Weight270.72 g/mol
Exact Mass270.07
IUPAC Name6-chloro-3-[(E)-2-phenylethenyl]-[1,2,4]triazolo[4,3-a]pyridin-8-amine
SMILESNc1cc(Cl)cn2c(/C=C/c3ccccc3)nnc12
InChIInChI=1S/C14H11ClN4/c15-11-8-12(16)14-18-17-13(19(14)9-11)7-6-10-4-2-1-3-5-10/h1-9H,16H2/b7-6+
InChIKeyJIJDPDLZBGFBLB-VOTSOKGWSA-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

Analyze 6-chloro-3-[(E)-2-phenylethenyl]-[1,2,4]triazolo[4,3-a]pyridin-8-amine with MolForge

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Related Compounds

6-bromo-3-[(E)-2-phenylethenyl]-[1,2,4]triazolo[4,3-a]pyridin-8-amine
CID 39080190
6-bromo-3-[(Z)-2-(3-methoxyphenyl)ethenyl]-[1,2,4]triazolo[4,3-a]pyridin-8-amine
CID 39080194
3-(3-bromophenyl)-6-chloro-[1,2,4]triazolo[4,3-a]pyridin-8-amine
CID 39080057
6-chloro-3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-8-amine
CID 39080056
6-chloro-3-(methoxymethyl)-[1,2,4]triazolo[4,3-a]pyridin-8-amine
CID 39080103
6-chloro-3-[(4-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-8-amine
CID 39080073
6-chloro-3-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridin-8-amine
CID 39080069
3-(3-chlorophenyl)-6-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-amine
CID 39079992
4-[(Z)-2-phenylethenyl]-2-[(E)-2-phenylethenyl]benzene-1,3,5-triamine
CID 51521223
6-bromo-3-(3-chlorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-8-amine
CID 39080167
CID 70569152
CID 70569152
CID 70567885
CID 70567885

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-[(E)-2-phenylethenyl]-[1,2,4]triazolo[4,3-a]pyridin-8-amine?
The IUPAC name of 6-chloro-3-[(E)-2-phenylethenyl]-[1,2,4]triazolo[4,3-a]pyridin-8-amine (CID 39080115) is 6-chloro-3-[(E)-2-phenylethenyl]-[1,2,4]triazolo[4,3-a]pyridin-8-amine.
What is the SMILES notation for 6-chloro-3-[(E)-2-phenylethenyl]-[1,2,4]triazolo[4,3-a]pyridin-8-amine?
The canonical SMILES for 6-chloro-3-[(E)-2-phenylethenyl]-[1,2,4]triazolo[4,3-a]pyridin-8-amine is Nc1cc(Cl)cn2c(/C=C/c3ccccc3)nnc12.
What is the InChIKey of 6-chloro-3-[(E)-2-phenylethenyl]-[1,2,4]triazolo[4,3-a]pyridin-8-amine?
The InChIKey is JIJDPDLZBGFBLB-VOTSOKGWSA-N. The full InChI is InChI=1S/C14H11ClN4/c15-11-8-12(16)14-18-17-13(19(14)9-11)7-6-10-4-2-1-3-5-10/h1-9H,16H2/b7-6+.
What are the key properties of 6-chloro-3-[(E)-2-phenylethenyl]-[1,2,4]triazolo[4,3-a]pyridin-8-amine?
6-chloro-3-[(E)-2-phenylethenyl]-[1,2,4]triazolo[4,3-a]pyridin-8-amine 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 6-chloro-3-[(E)-2-phenylethenyl]-[1,2,4]triazolo[4,3-a]pyridin-8-amine is sourced from PubChem (CID 39080115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).