N-methyl-3-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)aniline

C14H14N4 — CID 116989693

IUPACN-methyl-3-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)aniline
SMILESCNc1cccc(-c2nc3cc(C)ccn3n2)c1
InChIInChI=1S/C14H14N4/c1-10-6-7-18-13(8-10)16-14(17-18)11-4-3-5-12(9-11)15-2/h3-9,15H,1-2H3
InChIKeyLHBSAJQROACCDW-UHFFFAOYSA-N
MW238.29 g/mol
LogP2.75
Rot. Bonds2

About N-methyl-3-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)aniline

N-methyl-3-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)aniline (PubChem CID 116989693) has the molecular formula C14H14N4 and a molecular weight of 238.29 g/mol. Its IUPAC name is N-methyl-3-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)aniline.

Molecular Properties

Compound NameN-methyl-3-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)aniline
PubChem CID116989693
Molecular FormulaC14H14N4
Molecular Weight238.29 g/mol
Exact Mass238.12
IUPAC NameN-methyl-3-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)aniline
SMILESCNc1cccc(-c2nc3cc(C)ccn3n2)c1
InChIInChI=1S/C14H14N4/c1-10-6-7-18-13(8-10)16-14(17-18)11-4-3-5-12(9-11)15-2/h3-9,15H,1-2H3
InChIKeyLHBSAJQROACCDW-UHFFFAOYSA-N
XLogP2.75
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)aniline?
The IUPAC name of N-methyl-3-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)aniline (CID 116989693) is N-methyl-3-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)aniline.
What is the SMILES notation for N-methyl-3-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)aniline?
The canonical SMILES for N-methyl-3-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)aniline is CNc1cccc(-c2nc3cc(C)ccn3n2)c1.
What is the InChIKey of N-methyl-3-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)aniline?
The InChIKey is LHBSAJQROACCDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4/c1-10-6-7-18-13(8-10)16-14(17-18)11-4-3-5-12(9-11)15-2/h3-9,15H,1-2H3.
What are the key properties of N-methyl-3-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)aniline?
N-methyl-3-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)aniline has a molecular weight of 238.29 g/mol, XLogP of 2.75, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)aniline is sourced from PubChem (CID 116989693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).