3-chloro-5-propyl-4-(1-thiophen-2-ylethyl)-1,2,4-triazole

C11H14ClN3S — CID 63385085

IUPAC3-chloro-5-propyl-4-(1-thiophen-2-ylethyl)-1,2,4-triazole
SMILESCCCc1nnc(Cl)n1C(C)c1cccs1
InChIInChI=1S/C11H14ClN3S/c1-3-5-10-13-14-11(12)15(10)8(2)9-6-4-7-16-9/h4,6-8H,3,5H2,1-2H3
InChIKeyLOJWWOAGXOYWGM-UHFFFAOYSA-N
MW255.77 g/mol
LogP3.55
Rot. Bonds4

About 3-chloro-5-propyl-4-(1-thiophen-2-ylethyl)-1,2,4-triazole

3-chloro-5-propyl-4-(1-thiophen-2-ylethyl)-1,2,4-triazole (PubChem CID 63385085) has the molecular formula C11H14ClN3S and a molecular weight of 255.77 g/mol. Its IUPAC name is 3-chloro-5-propyl-4-(1-thiophen-2-ylethyl)-1,2,4-triazole.

Molecular Properties

Compound Name3-chloro-5-propyl-4-(1-thiophen-2-ylethyl)-1,2,4-triazole
PubChem CID63385085
Molecular FormulaC11H14ClN3S
Molecular Weight255.77 g/mol
Exact Mass255.06
IUPAC Name3-chloro-5-propyl-4-(1-thiophen-2-ylethyl)-1,2,4-triazole
SMILESCCCc1nnc(Cl)n1C(C)c1cccs1
InChIInChI=1S/C11H14ClN3S/c1-3-5-10-13-14-11(12)15(10)8(2)9-6-4-7-16-9/h4,6-8H,3,5H2,1-2H3
InChIKeyLOJWWOAGXOYWGM-UHFFFAOYSA-N
XLogP3.55
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.77
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-5-propyl-4-(1-thiophen-2-ylbutyl)-1,2,4-triazole
CID 63385271
4-[1-(4-bromophenyl)ethyl]-3-chloro-5-propyl-1,2,4-triazole
CID 63389344
3-chloro-4-pentan-3-yl-5-propyl-1,2,4-triazole
CID 63384290
4-[1-(3-chloro-5-ethyl-1,2,4-triazol-4-yl)ethyl]pyridine
CID 63385765
3-chloro-5-propan-2-yl-4-(1-thiophen-2-ylpropan-2-yl)-1,2,4-triazole
CID 63385159
2-(2-chloroethyl)-4-fluoro-1-(1-thiophen-2-ylethyl)benzimidazole
CID 60790001
2-(2-chloroethyl)-1-(1-thiophen-2-ylethyl)imidazo[4,5-c]pyridine
CID 79292021
6-chloro-2-propyl-N-(1-thiophen-2-ylethyl)pyrimidin-4-amine
CID 80940733
1,3,5-tris(1-thiophen-2-ylethyl)-1,3,5-triazinane
CID 68714918
3-chloro-5-phenyl-4-(1-thiophen-2-ylpropan-2-yl)-1,2,4-triazole
CID 63385206
4-chloro-2-(1-chloroethyl)-1-(1-thiophen-2-ylethyl)benzimidazole
CID 104837676
1-ethyl-3-methyl-6-(1-thiophen-2-ylethyl)-4H-imidazo[4,5-d]pyrazole-5-thione
CID 79304844

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-propyl-4-(1-thiophen-2-ylethyl)-1,2,4-triazole?
The IUPAC name of 3-chloro-5-propyl-4-(1-thiophen-2-ylethyl)-1,2,4-triazole (CID 63385085) is 3-chloro-5-propyl-4-(1-thiophen-2-ylethyl)-1,2,4-triazole.
What is the SMILES notation for 3-chloro-5-propyl-4-(1-thiophen-2-ylethyl)-1,2,4-triazole?
The canonical SMILES for 3-chloro-5-propyl-4-(1-thiophen-2-ylethyl)-1,2,4-triazole is CCCc1nnc(Cl)n1C(C)c1cccs1.
What is the InChIKey of 3-chloro-5-propyl-4-(1-thiophen-2-ylethyl)-1,2,4-triazole?
The InChIKey is LOJWWOAGXOYWGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3S/c1-3-5-10-13-14-11(12)15(10)8(2)9-6-4-7-16-9/h4,6-8H,3,5H2,1-2H3.
What are the key properties of 3-chloro-5-propyl-4-(1-thiophen-2-ylethyl)-1,2,4-triazole?
3-chloro-5-propyl-4-(1-thiophen-2-ylethyl)-1,2,4-triazole has a molecular weight of 255.77 g/mol, XLogP of 3.55, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-propyl-4-(1-thiophen-2-ylethyl)-1,2,4-triazole is sourced from PubChem (CID 63385085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).