N,N-dimethyl-4-(3-phenyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)aniline

C20H18N4 — CID 155539497

IUPACN,N-dimethyl-4-(3-phenyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)aniline
SMILESCN(C)c1ccc(-c2ccc3nnc(-c4ccccc4)n3c2)cc1
InChIInChI=1S/C20H18N4/c1-23(2)18-11-8-15(9-12-18)17-10-13-19-21-22-20(24(19)14-17)16-6-4-3-5-7-16/h3-14H,1-2H3
InChIKeyYPAMFOQFMDDWEF-UHFFFAOYSA-N
MW314.39 g/mol
LogP4.13
Rot. Bonds3

About N,N-dimethyl-4-(3-phenyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)aniline

N,N-dimethyl-4-(3-phenyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)aniline (PubChem CID 155539497) has the molecular formula C20H18N4 and a molecular weight of 314.39 g/mol. Its IUPAC name is N,N-dimethyl-4-(3-phenyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)aniline.

Molecular Properties

Compound NameN,N-dimethyl-4-(3-phenyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)aniline
PubChem CID155539497
Molecular FormulaC20H18N4
Molecular Weight314.39 g/mol
Exact Mass314.15
IUPAC NameN,N-dimethyl-4-(3-phenyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)aniline
SMILESCN(C)c1ccc(-c2ccc3nnc(-c4ccccc4)n3c2)cc1
InChIInChI=1S/C20H18N4/c1-23(2)18-11-8-15(9-12-18)17-10-13-19-21-22-20(24(19)14-17)16-6-4-3-5-7-16/h3-14H,1-2H3
InChIKeyYPAMFOQFMDDWEF-UHFFFAOYSA-N
XLogP4.13
TPSA33.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-(3-phenyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)aniline?
The IUPAC name of N,N-dimethyl-4-(3-phenyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)aniline (CID 155539497) is N,N-dimethyl-4-(3-phenyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)aniline.
What is the SMILES notation for N,N-dimethyl-4-(3-phenyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)aniline?
The canonical SMILES for N,N-dimethyl-4-(3-phenyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)aniline is CN(C)c1ccc(-c2ccc3nnc(-c4ccccc4)n3c2)cc1.
What is the InChIKey of N,N-dimethyl-4-(3-phenyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)aniline?
The InChIKey is YPAMFOQFMDDWEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4/c1-23(2)18-11-8-15(9-12-18)17-10-13-19-21-22-20(24(19)14-17)16-6-4-3-5-7-16/h3-14H,1-2H3.
What are the key properties of N,N-dimethyl-4-(3-phenyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)aniline?
N,N-dimethyl-4-(3-phenyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)aniline has a molecular weight of 314.39 g/mol, XLogP of 4.13, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-(3-phenyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)aniline is sourced from PubChem (CID 155539497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).