N-[(2,6-dimethylphenyl)methyl]-2,3-dimethyl-6-(1,2,4-triazol-1-yl)imidazo[1,2-a]pyridin-8-amine

C20H22N6 — CID 24890872

IUPACN-[(2,6-dimethylphenyl)methyl]-2,3-dimethyl-6-(1,2,4-triazol-1-yl)imidazo[1,2-a]pyridin-8-amine
SMILESCc1cccc(C)c1CNc1cc(-n2cncn2)cn2c(C)c(C)nc12
InChIInChI=1S/C20H22N6/c1-13-6-5-7-14(2)18(13)9-22-19-8-17(26-12-21-11-23-26)10-25-16(4)15(3)24-20(19)25/h5-8,10-12,22H,9H2,1-4H3
InChIKeyYCAMYJGGAXTJHA-UHFFFAOYSA-N
MW346.44 g/mol
LogP3.76
Rot. Bonds4

About N-[(2,6-dimethylphenyl)methyl]-2,3-dimethyl-6-(1,2,4-triazol-1-yl)imidazo[1,2-a]pyridin-8-amine

N-[(2,6-dimethylphenyl)methyl]-2,3-dimethyl-6-(1,2,4-triazol-1-yl)imidazo[1,2-a]pyridin-8-amine (PubChem CID 24890872) has the molecular formula C20H22N6 and a molecular weight of 346.44 g/mol. Its IUPAC name is N-[(2,6-dimethylphenyl)methyl]-2,3-dimethyl-6-(1,2,4-triazol-1-yl)imidazo[1,2-a]pyridin-8-amine.

Molecular Properties

Compound NameN-[(2,6-dimethylphenyl)methyl]-2,3-dimethyl-6-(1,2,4-triazol-1-yl)imidazo[1,2-a]pyridin-8-amine
PubChem CID24890872
Molecular FormulaC20H22N6
Molecular Weight346.44 g/mol
Exact Mass346.19
IUPAC NameN-[(2,6-dimethylphenyl)methyl]-2,3-dimethyl-6-(1,2,4-triazol-1-yl)imidazo[1,2-a]pyridin-8-amine
SMILESCc1cccc(C)c1CNc1cc(-n2cncn2)cn2c(C)c(C)nc12
InChIInChI=1S/C20H22N6/c1-13-6-5-7-14(2)18(13)9-22-19-8-17(26-12-21-11-23-26)10-25-16(4)15(3)24-20(19)25/h5-8,10-12,22H,9H2,1-4H3
InChIKeyYCAMYJGGAXTJHA-UHFFFAOYSA-N
XLogP3.76
TPSA60.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.44
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(2,6-dimethylphenyl)methyl]-2,3-dimethyl-6-(1,2,4-triazol-1-yl)imidazo[1,2-a]pyridin-8-amine?
The IUPAC name of N-[(2,6-dimethylphenyl)methyl]-2,3-dimethyl-6-(1,2,4-triazol-1-yl)imidazo[1,2-a]pyridin-8-amine (CID 24890872) is N-[(2,6-dimethylphenyl)methyl]-2,3-dimethyl-6-(1,2,4-triazol-1-yl)imidazo[1,2-a]pyridin-8-amine.
What is the SMILES notation for N-[(2,6-dimethylphenyl)methyl]-2,3-dimethyl-6-(1,2,4-triazol-1-yl)imidazo[1,2-a]pyridin-8-amine?
The canonical SMILES for N-[(2,6-dimethylphenyl)methyl]-2,3-dimethyl-6-(1,2,4-triazol-1-yl)imidazo[1,2-a]pyridin-8-amine is Cc1cccc(C)c1CNc1cc(-n2cncn2)cn2c(C)c(C)nc12.
What is the InChIKey of N-[(2,6-dimethylphenyl)methyl]-2,3-dimethyl-6-(1,2,4-triazol-1-yl)imidazo[1,2-a]pyridin-8-amine?
The InChIKey is YCAMYJGGAXTJHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6/c1-13-6-5-7-14(2)18(13)9-22-19-8-17(26-12-21-11-23-26)10-25-16(4)15(3)24-20(19)25/h5-8,10-12,22H,9H2,1-4H3.
What are the key properties of N-[(2,6-dimethylphenyl)methyl]-2,3-dimethyl-6-(1,2,4-triazol-1-yl)imidazo[1,2-a]pyridin-8-amine?
N-[(2,6-dimethylphenyl)methyl]-2,3-dimethyl-6-(1,2,4-triazol-1-yl)imidazo[1,2-a]pyridin-8-amine has a molecular weight of 346.44 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,6-dimethylphenyl)methyl]-2,3-dimethyl-6-(1,2,4-triazol-1-yl)imidazo[1,2-a]pyridin-8-amine is sourced from PubChem (CID 24890872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).