2,5-dimethyl-N-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

C16H19N5O3 — CID 5307761

IUPAC2,5-dimethyl-N-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCOc1cc(Nc2cc(C)nc3nc(C)nn23)cc(OC)c1OC
InChIInChI=1S/C16H19N5O3/c1-9-6-14(21-16(17-9)18-10(2)20-21)19-11-7-12(22-3)15(24-5)13(8-11)23-4/h6-8,19H,1-5H3
InChIKeyKEOQSRHBFGLCBV-UHFFFAOYSA-N
MW329.36 g/mol
LogP2.51
Rot. Bonds5

About 2,5-dimethyl-N-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

2,5-dimethyl-N-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 5307761) has the molecular formula C16H19N5O3 and a molecular weight of 329.36 g/mol. Its IUPAC name is 2,5-dimethyl-N-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name2,5-dimethyl-N-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID5307761
Molecular FormulaC16H19N5O3
Molecular Weight329.36 g/mol
Exact Mass329.15
IUPAC Name2,5-dimethyl-N-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCOc1cc(Nc2cc(C)nc3nc(C)nn23)cc(OC)c1OC
InChIInChI=1S/C16H19N5O3/c1-9-6-14(21-16(17-9)18-10(2)20-21)19-11-7-12(22-3)15(24-5)13(8-11)23-4/h6-8,19H,1-5H3
InChIKeyKEOQSRHBFGLCBV-UHFFFAOYSA-N
XLogP2.51
TPSA82.80 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 2,5-dimethyl-N-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 5307761) is 2,5-dimethyl-N-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 2,5-dimethyl-N-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 2,5-dimethyl-N-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is COc1cc(Nc2cc(C)nc3nc(C)nn23)cc(OC)c1OC.
What is the InChIKey of 2,5-dimethyl-N-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is KEOQSRHBFGLCBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O3/c1-9-6-14(21-16(17-9)18-10(2)20-21)19-11-7-12(22-3)15(24-5)13(8-11)23-4/h6-8,19H,1-5H3.
What are the key properties of 2,5-dimethyl-N-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
2,5-dimethyl-N-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 329.36 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 5307761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).