4-chloro-5-ethyl-2H-triazole

C4H6ClN3 — CID 69384556

IUPAC4-chloro-5-ethyl-2H-triazole
SMILESCCc1n[nH]nc1Cl
InChIInChI=1S/C4H6ClN3/c1-2-3-4(5)7-8-6-3/h2H2,1H3,(H,6,7,8)
InChIKeyUGDSRAXXOQWJKD-UHFFFAOYSA-N
MW131.57 g/mol
LogP1.02
Rot. Bonds1

About 4-chloro-5-ethyl-2H-triazole

4-chloro-5-ethyl-2H-triazole (PubChem CID 69384556) has the molecular formula C4H6ClN3 and a molecular weight of 131.57 g/mol. Its IUPAC name is 4-chloro-5-ethyl-2H-triazole.

Molecular Properties

Compound Name4-chloro-5-ethyl-2H-triazole
PubChem CID69384556
Molecular FormulaC4H6ClN3
Molecular Weight131.57 g/mol
Exact Mass131.03
IUPAC Name4-chloro-5-ethyl-2H-triazole
SMILESCCc1n[nH]nc1Cl
InChIInChI=1S/C4H6ClN3/c1-2-3-4(5)7-8-6-3/h2H2,1H3,(H,6,7,8)
InChIKeyUGDSRAXXOQWJKD-UHFFFAOYSA-N
XLogP1.02
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.57
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-ethyl-2H-triazole?
The IUPAC name of 4-chloro-5-ethyl-2H-triazole (CID 69384556) is 4-chloro-5-ethyl-2H-triazole.
What is the SMILES notation for 4-chloro-5-ethyl-2H-triazole?
The canonical SMILES for 4-chloro-5-ethyl-2H-triazole is CCc1n[nH]nc1Cl.
What is the InChIKey of 4-chloro-5-ethyl-2H-triazole?
The InChIKey is UGDSRAXXOQWJKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6ClN3/c1-2-3-4(5)7-8-6-3/h2H2,1H3,(H,6,7,8).
What are the key properties of 4-chloro-5-ethyl-2H-triazole?
4-chloro-5-ethyl-2H-triazole has a molecular weight of 131.57 g/mol, XLogP of 1.02, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-ethyl-2H-triazole is sourced from PubChem (CID 69384556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).