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

C11H13ClN4O — CID 103075853

IUPAC5-chloro-7-cyclopentyloxy-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCc1c(Cl)nc2ncnn2c1OC1CCCC1
InChIInChI=1S/C11H13ClN4O/c1-7-9(12)15-11-13-6-14-16(11)10(7)17-8-4-2-3-5-8/h6,8H,2-5H2,1H3
InChIKeyCWWWJGFGBPPZCV-UHFFFAOYSA-N
MW252.70 g/mol
LogP2.41
Rot. Bonds2

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

5-chloro-7-cyclopentyloxy-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 103075853) has the molecular formula C11H13ClN4O and a molecular weight of 252.70 g/mol. Its IUPAC name is 5-chloro-7-cyclopentyloxy-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5-chloro-7-cyclopentyloxy-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID103075853
Molecular FormulaC11H13ClN4O
Molecular Weight252.70 g/mol
Exact Mass252.08
IUPAC Name5-chloro-7-cyclopentyloxy-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCc1c(Cl)nc2ncnn2c1OC1CCCC1
InChIInChI=1S/C11H13ClN4O/c1-7-9(12)15-11-13-6-14-16(11)10(7)17-8-4-2-3-5-8/h6,8H,2-5H2,1H3
InChIKeyCWWWJGFGBPPZCV-UHFFFAOYSA-N
XLogP2.41
TPSA52.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.70
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-7-cyclopentyloxy-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 5-chloro-7-cyclopentyloxy-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidine (CID 103075853) is 5-chloro-7-cyclopentyloxy-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5-chloro-7-cyclopentyloxy-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 5-chloro-7-cyclopentyloxy-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidine is Cc1c(Cl)nc2ncnn2c1OC1CCCC1.
What is the InChIKey of 5-chloro-7-cyclopentyloxy-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is CWWWJGFGBPPZCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN4O/c1-7-9(12)15-11-13-6-14-16(11)10(7)17-8-4-2-3-5-8/h6,8H,2-5H2,1H3.
What are the key properties of 5-chloro-7-cyclopentyloxy-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidine?
5-chloro-7-cyclopentyloxy-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 252.70 g/mol, XLogP of 2.41, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-7-cyclopentyloxy-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 103075853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).