5-chloro-1-ethyl-1,2,4-triazole

C4H6ClN3 — CID 45117660

IUPAC5-chloro-1-ethyl-1,2,4-triazole
SMILESCCn1ncnc1Cl
InChIInChI=1S/C4H6ClN3/c1-2-8-4(5)6-3-7-8/h3H,2H2,1H3
InChIKeyPSFKTYHTVOHGGP-UHFFFAOYSA-N
MW131.57 g/mol
LogP0.95
Rot. Bonds1

About 5-chloro-1-ethyl-1,2,4-triazole

5-chloro-1-ethyl-1,2,4-triazole (PubChem CID 45117660) has the molecular formula C4H6ClN3 and a molecular weight of 131.57 g/mol. Its IUPAC name is 5-chloro-1-ethyl-1,2,4-triazole.

Molecular Properties

Compound Name5-chloro-1-ethyl-1,2,4-triazole
PubChem CID45117660
Molecular FormulaC4H6ClN3
Molecular Weight131.57 g/mol
Exact Mass131.03
IUPAC Name5-chloro-1-ethyl-1,2,4-triazole
SMILESCCn1ncnc1Cl
InChIInChI=1S/C4H6ClN3/c1-2-8-4(5)6-3-7-8/h3H,2H2,1H3
InChIKeyPSFKTYHTVOHGGP-UHFFFAOYSA-N
XLogP0.95
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.57
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-1,2,4-triazole-3-sulfonyl chloride
CID 130529956
1-ethyl-5-methyliodanuidyl-1,2,4-triazole
CID 178160647
(2-ethyl-1,2,4-triazol-3-yl)methanol
CID 11412385
1-ethyl-5-ethynyl-1,2,4-triazole
CID 115011095
2-(2-ethyl-1,2,4-triazol-3-yl)propan-2-ol
CID 115012064
1-ethyl-5-pyrrolidin-1-yl-1,2,4-triazole
CID 174742689
5-cyclobutyl-1-ethyl-1,2,4-triazole
CID 101129673
(2R)-1-(2-ethyl-1,2,4-triazol-3-yl)propan-2-amine
CID 94552952
N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]propan-2-amine
CID 62696832
4-(2-ethyl-1,2,4-triazol-3-yl)phenol
CID 136641819
1-(2-ethyl-1,2,4-triazol-3-yl)-2-methylpropan-1-one
CID 130529478
5-[3-chloro-2-(chloromethyl)-2-(4-chlorophenyl)propyl]-1-ethyl-1,2,4-triazole
CID 79453731

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-ethyl-1,2,4-triazole?
The IUPAC name of 5-chloro-1-ethyl-1,2,4-triazole (CID 45117660) is 5-chloro-1-ethyl-1,2,4-triazole.
What is the SMILES notation for 5-chloro-1-ethyl-1,2,4-triazole?
The canonical SMILES for 5-chloro-1-ethyl-1,2,4-triazole is CCn1ncnc1Cl.
What is the InChIKey of 5-chloro-1-ethyl-1,2,4-triazole?
The InChIKey is PSFKTYHTVOHGGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6ClN3/c1-2-8-4(5)6-3-7-8/h3H,2H2,1H3.
What are the key properties of 5-chloro-1-ethyl-1,2,4-triazole?
5-chloro-1-ethyl-1,2,4-triazole has a molecular weight of 131.57 g/mol, XLogP of 0.95, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-ethyl-1,2,4-triazole is sourced from PubChem (CID 45117660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).