methyl 3-(7-chloro-2-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)propanoate

C10H11ClN4O2 — CID 19917831

IUPACmethyl 3-(7-chloro-2-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)propanoate
SMILESCOC(=O)CCc1cc(Cl)n2nc(C)nc2n1
InChIInChI=1S/C10H11ClN4O2/c1-6-12-10-13-7(3-4-9(16)17-2)5-8(11)15(10)14-6/h5H,3-4H2,1-2H3
InChIKeySRRWHUJNQJUWOH-UHFFFAOYSA-N
MW254.68 g/mol
LogP1.19
Rot. Bonds3

About methyl 3-(7-chloro-2-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)propanoate

methyl 3-(7-chloro-2-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)propanoate (PubChem CID 19917831) has the molecular formula C10H11ClN4O2 and a molecular weight of 254.68 g/mol. Its IUPAC name is methyl 3-(7-chloro-2-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)propanoate.

Molecular Properties

Compound Namemethyl 3-(7-chloro-2-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)propanoate
PubChem CID19917831
Molecular FormulaC10H11ClN4O2
Molecular Weight254.68 g/mol
Exact Mass254.06
IUPAC Namemethyl 3-(7-chloro-2-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)propanoate
SMILESCOC(=O)CCc1cc(Cl)n2nc(C)nc2n1
InChIInChI=1S/C10H11ClN4O2/c1-6-12-10-13-7(3-4-9(16)17-2)5-8(11)15(10)14-6/h5H,3-4H2,1-2H3
InChIKeySRRWHUJNQJUWOH-UHFFFAOYSA-N
XLogP1.19
TPSA69.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.68
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 3-(7-chloro-2-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)propanoate 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 methyl 3-(7-chloro-2-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)propanoate?
The IUPAC name of methyl 3-(7-chloro-2-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)propanoate (CID 19917831) is methyl 3-(7-chloro-2-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)propanoate.
What is the SMILES notation for methyl 3-(7-chloro-2-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)propanoate?
The canonical SMILES for methyl 3-(7-chloro-2-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)propanoate is COC(=O)CCc1cc(Cl)n2nc(C)nc2n1.
What is the InChIKey of methyl 3-(7-chloro-2-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)propanoate?
The InChIKey is SRRWHUJNQJUWOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN4O2/c1-6-12-10-13-7(3-4-9(16)17-2)5-8(11)15(10)14-6/h5H,3-4H2,1-2H3.
What are the key properties of methyl 3-(7-chloro-2-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)propanoate?
methyl 3-(7-chloro-2-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)propanoate has a molecular weight of 254.68 g/mol, XLogP of 1.19, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(7-chloro-2-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)propanoate is sourced from PubChem (CID 19917831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).