N-[2-(3,4-diethoxyphenyl)ethyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

C18H23N5O2 — CID 5308243

IUPACN-[2-(3,4-diethoxyphenyl)ethyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCCOc1ccc(CCNc2cc(C)nc3ncnn23)cc1OCC
InChIInChI=1S/C18H23N5O2/c1-4-24-15-7-6-14(11-16(15)25-5-2)8-9-19-17-10-13(3)22-18-20-12-21-23(17)18/h6-7,10-12,19H,4-5,8-9H2,1-3H3
InChIKeySOMDXQCRCRLJNX-UHFFFAOYSA-N
MW341.42 g/mol
LogP2.88
Rot. Bonds8

About N-[2-(3,4-diethoxyphenyl)ethyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

N-[2-(3,4-diethoxyphenyl)ethyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 5308243) has the molecular formula C18H23N5O2 and a molecular weight of 341.42 g/mol. Its IUPAC name is N-[2-(3,4-diethoxyphenyl)ethyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-[2-(3,4-diethoxyphenyl)ethyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID5308243
Molecular FormulaC18H23N5O2
Molecular Weight341.42 g/mol
Exact Mass341.19
IUPAC NameN-[2-(3,4-diethoxyphenyl)ethyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCCOc1ccc(CCNc2cc(C)nc3ncnn23)cc1OCC
InChIInChI=1S/C18H23N5O2/c1-4-24-15-7-6-14(11-16(15)25-5-2)8-9-19-17-10-13(3)22-18-20-12-21-23(17)18/h6-7,10-12,19H,4-5,8-9H2,1-3H3
InChIKeySOMDXQCRCRLJNX-UHFFFAOYSA-N
XLogP2.88
TPSA73.57 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[2-(3,4-diethoxyphenyl)ethyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-diethoxyphenyl)ethyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-[2-(3,4-diethoxyphenyl)ethyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 5308243) is N-[2-(3,4-diethoxyphenyl)ethyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-[2-(3,4-diethoxyphenyl)ethyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-[2-(3,4-diethoxyphenyl)ethyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is CCOc1ccc(CCNc2cc(C)nc3ncnn23)cc1OCC.
What is the InChIKey of N-[2-(3,4-diethoxyphenyl)ethyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is SOMDXQCRCRLJNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O2/c1-4-24-15-7-6-14(11-16(15)25-5-2)8-9-19-17-10-13(3)22-18-20-12-21-23(17)18/h6-7,10-12,19H,4-5,8-9H2,1-3H3.
What are the key properties of N-[2-(3,4-diethoxyphenyl)ethyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
N-[2-(3,4-diethoxyphenyl)ethyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 341.42 g/mol, XLogP of 2.88, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-diethoxyphenyl)ethyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 5308243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).