5-chloro-6-methyl-7-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyrimidine

C10H12ClN5 — CID 103076138

IUPAC5-chloro-6-methyl-7-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCc1c(Cl)nc2ncnn2c1N1CCCC1
InChIInChI=1S/C10H12ClN5/c1-7-8(11)14-10-12-6-13-16(10)9(7)15-4-2-3-5-15/h6H,2-5H2,1H3
InChIKeyOPQREISKVKPLEK-UHFFFAOYSA-N
MW237.69 g/mol
LogP1.69
Rot. Bonds1

About 5-chloro-6-methyl-7-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyrimidine

5-chloro-6-methyl-7-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 103076138) has the molecular formula C10H12ClN5 and a molecular weight of 237.69 g/mol. Its IUPAC name is 5-chloro-6-methyl-7-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5-chloro-6-methyl-7-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID103076138
Molecular FormulaC10H12ClN5
Molecular Weight237.69 g/mol
Exact Mass237.08
IUPAC Name5-chloro-6-methyl-7-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCc1c(Cl)nc2ncnn2c1N1CCCC1
InChIInChI=1S/C10H12ClN5/c1-7-8(11)14-10-12-6-13-16(10)9(7)15-4-2-3-5-15/h6H,2-5H2,1H3
InChIKeyOPQREISKVKPLEK-UHFFFAOYSA-N
XLogP1.69
TPSA46.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.69
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-methyl-7-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 5-chloro-6-methyl-7-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyrimidine (CID 103076138) is 5-chloro-6-methyl-7-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5-chloro-6-methyl-7-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 5-chloro-6-methyl-7-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyrimidine is Cc1c(Cl)nc2ncnn2c1N1CCCC1.
What is the InChIKey of 5-chloro-6-methyl-7-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is OPQREISKVKPLEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN5/c1-7-8(11)14-10-12-6-13-16(10)9(7)15-4-2-3-5-15/h6H,2-5H2,1H3.
What are the key properties of 5-chloro-6-methyl-7-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyrimidine?
5-chloro-6-methyl-7-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 237.69 g/mol, XLogP of 1.69, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-methyl-7-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 103076138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).