2-(5-chloro-3-ethyl-1,2,4-triazol-1-yl)pyrimidine

C8H8ClN5 — CID 30032571

IUPAC2-(5-chloro-3-ethyl-1,2,4-triazol-1-yl)pyrimidine
SMILESCCc1nc(Cl)n(-c2ncccn2)n1
InChIInChI=1S/C8H8ClN5/c1-2-6-12-7(9)14(13-6)8-10-4-3-5-11-8/h3-5H,2H2,1H3
InChIKeyDQGWQHPMKQVNLM-UHFFFAOYSA-N
MW209.64 g/mol
LogP1.27
Rot. Bonds2

About 2-(5-chloro-3-ethyl-1,2,4-triazol-1-yl)pyrimidine

2-(5-chloro-3-ethyl-1,2,4-triazol-1-yl)pyrimidine (PubChem CID 30032571) has the molecular formula C8H8ClN5 and a molecular weight of 209.64 g/mol. Its IUPAC name is 2-(5-chloro-3-ethyl-1,2,4-triazol-1-yl)pyrimidine.

Molecular Properties

Compound Name2-(5-chloro-3-ethyl-1,2,4-triazol-1-yl)pyrimidine
PubChem CID30032571
Molecular FormulaC8H8ClN5
Molecular Weight209.64 g/mol
Exact Mass209.05
IUPAC Name2-(5-chloro-3-ethyl-1,2,4-triazol-1-yl)pyrimidine
SMILESCCc1nc(Cl)n(-c2ncccn2)n1
InChIInChI=1S/C8H8ClN5/c1-2-6-12-7(9)14(13-6)8-10-4-3-5-11-8/h3-5H,2H2,1H3
InChIKeyDQGWQHPMKQVNLM-UHFFFAOYSA-N
XLogP1.27
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.64
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-3-ethyl-1,2,4-triazol-1-yl)pyrimidine?
The IUPAC name of 2-(5-chloro-3-ethyl-1,2,4-triazol-1-yl)pyrimidine (CID 30032571) is 2-(5-chloro-3-ethyl-1,2,4-triazol-1-yl)pyrimidine.
What is the SMILES notation for 2-(5-chloro-3-ethyl-1,2,4-triazol-1-yl)pyrimidine?
The canonical SMILES for 2-(5-chloro-3-ethyl-1,2,4-triazol-1-yl)pyrimidine is CCc1nc(Cl)n(-c2ncccn2)n1.
What is the InChIKey of 2-(5-chloro-3-ethyl-1,2,4-triazol-1-yl)pyrimidine?
The InChIKey is DQGWQHPMKQVNLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClN5/c1-2-6-12-7(9)14(13-6)8-10-4-3-5-11-8/h3-5H,2H2,1H3.
What are the key properties of 2-(5-chloro-3-ethyl-1,2,4-triazol-1-yl)pyrimidine?
2-(5-chloro-3-ethyl-1,2,4-triazol-1-yl)pyrimidine has a molecular weight of 209.64 g/mol, XLogP of 1.27, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-3-ethyl-1,2,4-triazol-1-yl)pyrimidine is sourced from PubChem (CID 30032571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).