N-(3-chlorophenyl)-2-[2-(dimethylamino)ethoxy]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

C16H19ClN6O — CID 53392981

IUPACN-(3-chlorophenyl)-2-[2-(dimethylamino)ethoxy]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(Nc2cccc(Cl)c2)n2nc(OCCN(C)C)nc2n1
InChIInChI=1S/C16H19ClN6O/c1-11-9-14(19-13-6-4-5-12(17)10-13)23-15(18-11)20-16(21-23)24-8-7-22(2)3/h4-6,9-10,19H,7-8H2,1-3H3
InChIKeyCJGBFWQVILZHHI-UHFFFAOYSA-N
MW346.82 g/mol
LogP2.77
Rot. Bonds6

About N-(3-chlorophenyl)-2-[2-(dimethylamino)ethoxy]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

N-(3-chlorophenyl)-2-[2-(dimethylamino)ethoxy]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 53392981) has the molecular formula C16H19ClN6O and a molecular weight of 346.82 g/mol. Its IUPAC name is N-(3-chlorophenyl)-2-[2-(dimethylamino)ethoxy]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-(3-chlorophenyl)-2-[2-(dimethylamino)ethoxy]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID53392981
Molecular FormulaC16H19ClN6O
Molecular Weight346.82 g/mol
Exact Mass346.13
IUPAC NameN-(3-chlorophenyl)-2-[2-(dimethylamino)ethoxy]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(Nc2cccc(Cl)c2)n2nc(OCCN(C)C)nc2n1
InChIInChI=1S/C16H19ClN6O/c1-11-9-14(19-13-6-4-5-12(17)10-13)23-15(18-11)20-16(21-23)24-8-7-22(2)3/h4-6,9-10,19H,7-8H2,1-3H3
InChIKeyCJGBFWQVILZHHI-UHFFFAOYSA-N
XLogP2.77
TPSA67.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.82
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-(3-chlorophenyl)-2-[2-(dimethylamino)ethoxy]-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-(3-chlorophenyl)-2-[2-(dimethylamino)ethoxy]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-(3-chlorophenyl)-2-[2-(dimethylamino)ethoxy]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 53392981) is N-(3-chlorophenyl)-2-[2-(dimethylamino)ethoxy]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-(3-chlorophenyl)-2-[2-(dimethylamino)ethoxy]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-(3-chlorophenyl)-2-[2-(dimethylamino)ethoxy]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is Cc1cc(Nc2cccc(Cl)c2)n2nc(OCCN(C)C)nc2n1.
What is the InChIKey of N-(3-chlorophenyl)-2-[2-(dimethylamino)ethoxy]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is CJGBFWQVILZHHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN6O/c1-11-9-14(19-13-6-4-5-12(17)10-13)23-15(18-11)20-16(21-23)24-8-7-22(2)3/h4-6,9-10,19H,7-8H2,1-3H3.
What are the key properties of N-(3-chlorophenyl)-2-[2-(dimethylamino)ethoxy]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
N-(3-chlorophenyl)-2-[2-(dimethylamino)ethoxy]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 346.82 g/mol, XLogP of 2.77, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-2-[2-(dimethylamino)ethoxy]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 53392981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).