2,6-dichloro-4-(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)aniline

C13H10Cl2N4 — CID 82830427

IUPAC2,6-dichloro-4-(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)aniline
SMILESCc1ccn2c(-c3cc(Cl)c(N)c(Cl)c3)nnc2c1
InChIInChI=1S/C13H10Cl2N4/c1-7-2-3-19-11(4-7)17-18-13(19)8-5-9(14)12(16)10(15)6-8/h2-6H,16H2,1H3
InChIKeyOUGOTBVFOFZDDQ-UHFFFAOYSA-N
MW293.16 g/mol
LogP3.59
Rot. Bonds1

About 2,6-dichloro-4-(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)aniline

2,6-dichloro-4-(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)aniline (PubChem CID 82830427) has the molecular formula C13H10Cl2N4 and a molecular weight of 293.16 g/mol. Its IUPAC name is 2,6-dichloro-4-(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)aniline.

Molecular Properties

Compound Name2,6-dichloro-4-(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)aniline
PubChem CID82830427
Molecular FormulaC13H10Cl2N4
Molecular Weight293.16 g/mol
Exact Mass292.03
IUPAC Name2,6-dichloro-4-(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)aniline
SMILESCc1ccn2c(-c3cc(Cl)c(N)c(Cl)c3)nnc2c1
InChIInChI=1S/C13H10Cl2N4/c1-7-2-3-19-11(4-7)17-18-13(19)8-5-9(14)12(16)10(15)6-8/h2-6H,16H2,1H3
InChIKeyOUGOTBVFOFZDDQ-UHFFFAOYSA-N
XLogP3.59
TPSA56.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.16
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-4-(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)aniline?
The IUPAC name of 2,6-dichloro-4-(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)aniline (CID 82830427) is 2,6-dichloro-4-(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)aniline.
What is the SMILES notation for 2,6-dichloro-4-(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)aniline?
The canonical SMILES for 2,6-dichloro-4-(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)aniline is Cc1ccn2c(-c3cc(Cl)c(N)c(Cl)c3)nnc2c1.
What is the InChIKey of 2,6-dichloro-4-(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)aniline?
The InChIKey is OUGOTBVFOFZDDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2N4/c1-7-2-3-19-11(4-7)17-18-13(19)8-5-9(14)12(16)10(15)6-8/h2-6H,16H2,1H3.
What are the key properties of 2,6-dichloro-4-(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)aniline?
2,6-dichloro-4-(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)aniline has a molecular weight of 293.16 g/mol, XLogP of 3.59, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-4-(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)aniline is sourced from PubChem (CID 82830427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).