6-(3,4-dimethoxyphenyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine;hydrochloride

C15H17ClN4O2 — CID 66849631

IUPAC6-(3,4-dimethoxyphenyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine;hydrochloride
SMILESCOc1ccc(-c2cn3nc(N)nc3cc2C)cc1OC.Cl
InChIInChI=1S/C15H16N4O2.ClH/c1-9-6-14-17-15(16)18-19(14)8-11(9)10-4-5-12(20-2)13(7-10)21-3;/h4-8H,1-3H3,(H2,16,18);1H
InChIKeyDDTQYLZAONUPGE-UHFFFAOYSA-N
MW320.78 g/mol
LogP2.73
Rot. Bonds3

About 6-(3,4-dimethoxyphenyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine;hydrochloride

6-(3,4-dimethoxyphenyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine;hydrochloride (PubChem CID 66849631) has the molecular formula C15H17ClN4O2 and a molecular weight of 320.78 g/mol. Its IUPAC name is 6-(3,4-dimethoxyphenyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine;hydrochloride.

Molecular Properties

Compound Name6-(3,4-dimethoxyphenyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine;hydrochloride
PubChem CID66849631
Molecular FormulaC15H17ClN4O2
Molecular Weight320.78 g/mol
Exact Mass320.10
IUPAC Name6-(3,4-dimethoxyphenyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine;hydrochloride
SMILESCOc1ccc(-c2cn3nc(N)nc3cc2C)cc1OC.Cl
InChIInChI=1S/C15H16N4O2.ClH/c1-9-6-14-17-15(16)18-19(14)8-11(9)10-4-5-12(20-2)13(7-10)21-3;/h4-8H,1-3H3,(H2,16,18);1H
InChIKeyDDTQYLZAONUPGE-UHFFFAOYSA-N
XLogP2.73
TPSA74.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.78
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(3,4-dimethoxyphenyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine;hydrochloride?
The IUPAC name of 6-(3,4-dimethoxyphenyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine;hydrochloride (CID 66849631) is 6-(3,4-dimethoxyphenyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine;hydrochloride.
What is the SMILES notation for 6-(3,4-dimethoxyphenyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine;hydrochloride?
The canonical SMILES for 6-(3,4-dimethoxyphenyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine;hydrochloride is COc1ccc(-c2cn3nc(N)nc3cc2C)cc1OC.Cl.
What is the InChIKey of 6-(3,4-dimethoxyphenyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine;hydrochloride?
The InChIKey is DDTQYLZAONUPGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O2.ClH/c1-9-6-14-17-15(16)18-19(14)8-11(9)10-4-5-12(20-2)13(7-10)21-3;/h4-8H,1-3H3,(H2,16,18);1H.
What are the key properties of 6-(3,4-dimethoxyphenyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine;hydrochloride?
6-(3,4-dimethoxyphenyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine;hydrochloride has a molecular weight of 320.78 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-dimethoxyphenyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine;hydrochloride is sourced from PubChem (CID 66849631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).