7-chloro-2-ethyl-5-methyl-[1,2,4]triazolo[1,5-c]pyrimidine

C8H9ClN4 — CID 125495796

IUPAC7-chloro-2-ethyl-5-methyl-[1,2,4]triazolo[1,5-c]pyrimidine
SMILESCCc1nc2cc(Cl)nc(C)n2n1
InChIInChI=1S/C8H9ClN4/c1-3-7-11-8-4-6(9)10-5(2)13(8)12-7/h4H,3H2,1-2H3
InChIKeyYTURXINVCUUWEZ-UHFFFAOYSA-N
MW196.64 g/mol
LogP1.65
Rot. Bonds1

About 7-chloro-2-ethyl-5-methyl-[1,2,4]triazolo[1,5-c]pyrimidine

7-chloro-2-ethyl-5-methyl-[1,2,4]triazolo[1,5-c]pyrimidine (PubChem CID 125495796) has the molecular formula C8H9ClN4 and a molecular weight of 196.64 g/mol. Its IUPAC name is 7-chloro-2-ethyl-5-methyl-[1,2,4]triazolo[1,5-c]pyrimidine.

Molecular Properties

Compound Name7-chloro-2-ethyl-5-methyl-[1,2,4]triazolo[1,5-c]pyrimidine
PubChem CID125495796
Molecular FormulaC8H9ClN4
Molecular Weight196.64 g/mol
Exact Mass196.05
IUPAC Name7-chloro-2-ethyl-5-methyl-[1,2,4]triazolo[1,5-c]pyrimidine
SMILESCCc1nc2cc(Cl)nc(C)n2n1
InChIInChI=1S/C8H9ClN4/c1-3-7-11-8-4-6(9)10-5(2)13(8)12-7/h4H,3H2,1-2H3
InChIKeyYTURXINVCUUWEZ-UHFFFAOYSA-N
XLogP1.65
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.64
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-ethyl-5-methyl-[1,2,4]triazolo[1,5-c]pyrimidine?
The IUPAC name of 7-chloro-2-ethyl-5-methyl-[1,2,4]triazolo[1,5-c]pyrimidine (CID 125495796) is 7-chloro-2-ethyl-5-methyl-[1,2,4]triazolo[1,5-c]pyrimidine.
What is the SMILES notation for 7-chloro-2-ethyl-5-methyl-[1,2,4]triazolo[1,5-c]pyrimidine?
The canonical SMILES for 7-chloro-2-ethyl-5-methyl-[1,2,4]triazolo[1,5-c]pyrimidine is CCc1nc2cc(Cl)nc(C)n2n1.
What is the InChIKey of 7-chloro-2-ethyl-5-methyl-[1,2,4]triazolo[1,5-c]pyrimidine?
The InChIKey is YTURXINVCUUWEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClN4/c1-3-7-11-8-4-6(9)10-5(2)13(8)12-7/h4H,3H2,1-2H3.
What are the key properties of 7-chloro-2-ethyl-5-methyl-[1,2,4]triazolo[1,5-c]pyrimidine?
7-chloro-2-ethyl-5-methyl-[1,2,4]triazolo[1,5-c]pyrimidine has a molecular weight of 196.64 g/mol, XLogP of 1.65, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-ethyl-5-methyl-[1,2,4]triazolo[1,5-c]pyrimidine is sourced from PubChem (CID 125495796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).