3-(2-chloro-4,6-dimethylphenyl)-N-(1,3-dimethoxypropan-2-yl)-5-methyltriazolo[4,5-b]pyridin-7-amine

C19H24ClN5O2 — CID 10862079

IUPAC3-(2-chloro-4,6-dimethylphenyl)-N-(1,3-dimethoxypropan-2-yl)-5-methyltriazolo[4,5-b]pyridin-7-amine
SMILESCOCC(COC)Nc1cc(C)nc2c1nnn2-c1c(C)cc(C)cc1Cl
InChIInChI=1S/C19H24ClN5O2/c1-11-6-12(2)18(15(20)7-11)25-19-17(23-24-25)16(8-13(3)21-19)22-14(9-26-4)10-27-5/h6-8,14H,9-10H2,1-5H3,(H,21,22)
InChIKeyXFQVWFSRUMKDQG-UHFFFAOYSA-N
MW389.89 g/mol
LogP3.47
Rot. Bonds7

About 3-(2-chloro-4,6-dimethylphenyl)-N-(1,3-dimethoxypropan-2-yl)-5-methyltriazolo[4,5-b]pyridin-7-amine

3-(2-chloro-4,6-dimethylphenyl)-N-(1,3-dimethoxypropan-2-yl)-5-methyltriazolo[4,5-b]pyridin-7-amine (PubChem CID 10862079) has the molecular formula C19H24ClN5O2 and a molecular weight of 389.89 g/mol. Its IUPAC name is 3-(2-chloro-4,6-dimethylphenyl)-N-(1,3-dimethoxypropan-2-yl)-5-methyltriazolo[4,5-b]pyridin-7-amine.

Molecular Properties

Compound Name3-(2-chloro-4,6-dimethylphenyl)-N-(1,3-dimethoxypropan-2-yl)-5-methyltriazolo[4,5-b]pyridin-7-amine
PubChem CID10862079
Molecular FormulaC19H24ClN5O2
Molecular Weight389.89 g/mol
Exact Mass389.16
IUPAC Name3-(2-chloro-4,6-dimethylphenyl)-N-(1,3-dimethoxypropan-2-yl)-5-methyltriazolo[4,5-b]pyridin-7-amine
SMILESCOCC(COC)Nc1cc(C)nc2c1nnn2-c1c(C)cc(C)cc1Cl
InChIInChI=1S/C19H24ClN5O2/c1-11-6-12(2)18(15(20)7-11)25-19-17(23-24-25)16(8-13(3)21-19)22-14(9-26-4)10-27-5/h6-8,14H,9-10H2,1-5H3,(H,21,22)
InChIKeyXFQVWFSRUMKDQG-UHFFFAOYSA-N
XLogP3.47
TPSA74.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.89
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-4,6-dimethylphenyl)-N-(1,3-dimethoxypropan-2-yl)-5-methyltriazolo[4,5-b]pyridin-7-amine?
The IUPAC name of 3-(2-chloro-4,6-dimethylphenyl)-N-(1,3-dimethoxypropan-2-yl)-5-methyltriazolo[4,5-b]pyridin-7-amine (CID 10862079) is 3-(2-chloro-4,6-dimethylphenyl)-N-(1,3-dimethoxypropan-2-yl)-5-methyltriazolo[4,5-b]pyridin-7-amine.
What is the SMILES notation for 3-(2-chloro-4,6-dimethylphenyl)-N-(1,3-dimethoxypropan-2-yl)-5-methyltriazolo[4,5-b]pyridin-7-amine?
The canonical SMILES for 3-(2-chloro-4,6-dimethylphenyl)-N-(1,3-dimethoxypropan-2-yl)-5-methyltriazolo[4,5-b]pyridin-7-amine is COCC(COC)Nc1cc(C)nc2c1nnn2-c1c(C)cc(C)cc1Cl.
What is the InChIKey of 3-(2-chloro-4,6-dimethylphenyl)-N-(1,3-dimethoxypropan-2-yl)-5-methyltriazolo[4,5-b]pyridin-7-amine?
The InChIKey is XFQVWFSRUMKDQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN5O2/c1-11-6-12(2)18(15(20)7-11)25-19-17(23-24-25)16(8-13(3)21-19)22-14(9-26-4)10-27-5/h6-8,14H,9-10H2,1-5H3,(H,21,22).
What are the key properties of 3-(2-chloro-4,6-dimethylphenyl)-N-(1,3-dimethoxypropan-2-yl)-5-methyltriazolo[4,5-b]pyridin-7-amine?
3-(2-chloro-4,6-dimethylphenyl)-N-(1,3-dimethoxypropan-2-yl)-5-methyltriazolo[4,5-b]pyridin-7-amine has a molecular weight of 389.89 g/mol, XLogP of 3.47, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-4,6-dimethylphenyl)-N-(1,3-dimethoxypropan-2-yl)-5-methyltriazolo[4,5-b]pyridin-7-amine is sourced from PubChem (CID 10862079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).