methyl 7-chloro-5-propyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate

C10H11ClN4O2 — CID 16767710

IUPACmethyl 7-chloro-5-propyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate
SMILESCCCc1cc(Cl)n2nc(C(=O)OC)nc2n1
InChIInChI=1S/C10H11ClN4O2/c1-3-4-6-5-7(11)15-10(12-6)13-8(14-15)9(16)17-2/h5H,3-4H2,1-2H3
InChIKeyUBURHQWFVWFBDM-UHFFFAOYSA-N
MW254.68 g/mol
LogP1.52
Rot. Bonds3

About methyl 7-chloro-5-propyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate

methyl 7-chloro-5-propyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate (PubChem CID 16767710) has the molecular formula C10H11ClN4O2 and a molecular weight of 254.68 g/mol. Its IUPAC name is methyl 7-chloro-5-propyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 7-chloro-5-propyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate
PubChem CID16767710
Molecular FormulaC10H11ClN4O2
Molecular Weight254.68 g/mol
Exact Mass254.06
IUPAC Namemethyl 7-chloro-5-propyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate
SMILESCCCc1cc(Cl)n2nc(C(=O)OC)nc2n1
InChIInChI=1S/C10H11ClN4O2/c1-3-4-6-5-7(11)15-10(12-6)13-8(14-15)9(16)17-2/h5H,3-4H2,1-2H3
InChIKeyUBURHQWFVWFBDM-UHFFFAOYSA-N
XLogP1.52
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 ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 7-chloro-5-propyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate?
The IUPAC name of methyl 7-chloro-5-propyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate (CID 16767710) is methyl 7-chloro-5-propyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate.
What is the SMILES notation for methyl 7-chloro-5-propyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate?
The canonical SMILES for methyl 7-chloro-5-propyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate is CCCc1cc(Cl)n2nc(C(=O)OC)nc2n1.
What is the InChIKey of methyl 7-chloro-5-propyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate?
The InChIKey is UBURHQWFVWFBDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN4O2/c1-3-4-6-5-7(11)15-10(12-6)13-8(14-15)9(16)17-2/h5H,3-4H2,1-2H3.
What are the key properties of methyl 7-chloro-5-propyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate?
methyl 7-chloro-5-propyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate has a molecular weight of 254.68 g/mol, XLogP of 1.52, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-chloro-5-propyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate is sourced from PubChem (CID 16767710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).