methyl 2-(7-chloro-5-methyl-2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)pentanoate

C15H21ClN4O2 — CID 86674720

IUPACmethyl 2-(7-chloro-5-methyl-2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)pentanoate
SMILESCCCC(C(=O)OC)c1c(C)nc2nc(C(C)C)nn2c1Cl
InChIInChI=1S/C15H21ClN4O2/c1-6-7-10(14(21)22-5)11-9(4)17-15-18-13(8(2)3)19-20(15)12(11)16/h8,10H,6-7H2,1-5H3
InChIKeyOWSMGLMUUZLLLT-UHFFFAOYSA-N
MW324.81 g/mol
LogP3.27
Rot. Bonds5

About methyl 2-(7-chloro-5-methyl-2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)pentanoate

methyl 2-(7-chloro-5-methyl-2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)pentanoate (PubChem CID 86674720) has the molecular formula C15H21ClN4O2 and a molecular weight of 324.81 g/mol. Its IUPAC name is methyl 2-(7-chloro-5-methyl-2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)pentanoate.

Molecular Properties

Compound Namemethyl 2-(7-chloro-5-methyl-2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)pentanoate
PubChem CID86674720
Molecular FormulaC15H21ClN4O2
Molecular Weight324.81 g/mol
Exact Mass324.14
IUPAC Namemethyl 2-(7-chloro-5-methyl-2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)pentanoate
SMILESCCCC(C(=O)OC)c1c(C)nc2nc(C(C)C)nn2c1Cl
InChIInChI=1S/C15H21ClN4O2/c1-6-7-10(14(21)22-5)11-9(4)17-15-18-13(8(2)3)19-20(15)12(11)16/h8,10H,6-7H2,1-5H3
InChIKeyOWSMGLMUUZLLLT-UHFFFAOYSA-N
XLogP3.27
TPSA69.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.81
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 2-(7-chloro-5-methyl-2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)pentanoate with MolForge

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Related Compounds

CID 86674723
CID 86674723
CID 79220420
CID 79220420
CID 19917831
CID 19917831
CID 86665651
CID 86665651
CID 86670281
CID 86670281
CID 86674708
CID 86674708
CID 86674709
CID 86674709
CID 86674711
CID 86674711
CID 86674712
CID 86674712
CID 86674714
CID 86674714
CID 86674716
CID 86674716
CID 86674717
CID 86674717

Frequently Asked Questions

What is the IUPAC name of methyl 2-(7-chloro-5-methyl-2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)pentanoate?
The IUPAC name of methyl 2-(7-chloro-5-methyl-2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)pentanoate (CID 86674720) is methyl 2-(7-chloro-5-methyl-2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)pentanoate.
What is the SMILES notation for methyl 2-(7-chloro-5-methyl-2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)pentanoate?
The canonical SMILES for methyl 2-(7-chloro-5-methyl-2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)pentanoate is CCCC(C(=O)OC)c1c(C)nc2nc(C(C)C)nn2c1Cl.
What is the InChIKey of methyl 2-(7-chloro-5-methyl-2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)pentanoate?
The InChIKey is OWSMGLMUUZLLLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN4O2/c1-6-7-10(14(21)22-5)11-9(4)17-15-18-13(8(2)3)19-20(15)12(11)16/h8,10H,6-7H2,1-5H3.
What are the key properties of methyl 2-(7-chloro-5-methyl-2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)pentanoate?
methyl 2-(7-chloro-5-methyl-2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)pentanoate has a molecular weight of 324.81 g/mol, XLogP of 3.27, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(7-chloro-5-methyl-2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)pentanoate is sourced from PubChem (CID 86674720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).