3-chloro-5-cyclopropyl-4-(thiophen-3-ylmethyl)-1,2,4-triazole

C10H10ClN3S — CID 63385744

IUPAC3-chloro-5-cyclopropyl-4-(thiophen-3-ylmethyl)-1,2,4-triazole
SMILESClc1nnc(C2CC2)n1Cc1ccsc1
InChIInChI=1S/C10H10ClN3S/c11-10-13-12-9(8-1-2-8)14(10)5-7-3-4-15-6-7/h3-4,6,8H,1-2,5H2
InChIKeyYVUPDFHHGYSULK-UHFFFAOYSA-N
MW239.73 g/mol
LogP2.92
Rot. Bonds3

About 3-chloro-5-cyclopropyl-4-(thiophen-3-ylmethyl)-1,2,4-triazole

3-chloro-5-cyclopropyl-4-(thiophen-3-ylmethyl)-1,2,4-triazole (PubChem CID 63385744) has the molecular formula C10H10ClN3S and a molecular weight of 239.73 g/mol. Its IUPAC name is 3-chloro-5-cyclopropyl-4-(thiophen-3-ylmethyl)-1,2,4-triazole.

Molecular Properties

Compound Name3-chloro-5-cyclopropyl-4-(thiophen-3-ylmethyl)-1,2,4-triazole
PubChem CID63385744
Molecular FormulaC10H10ClN3S
Molecular Weight239.73 g/mol
Exact Mass239.03
IUPAC Name3-chloro-5-cyclopropyl-4-(thiophen-3-ylmethyl)-1,2,4-triazole
SMILESClc1nnc(C2CC2)n1Cc1ccsc1
InChIInChI=1S/C10H10ClN3S/c11-10-13-12-9(8-1-2-8)14(10)5-7-3-4-15-6-7/h3-4,6,8H,1-2,5H2
InChIKeyYVUPDFHHGYSULK-UHFFFAOYSA-N
XLogP2.92
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.73
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-cyclopropyl-4-(thiophen-3-ylmethyl)-1H-1,2,4-triazole-5-thione
CID 63245580
3-chloro-5-phenyl-4-(thiophen-3-ylmethyl)-1,2,4-triazole
CID 63385746
3-chloro-5-cyclopropyl-4-(2-phenylethyl)-1,2,4-triazole
CID 55184754
3-chloro-5-cyclopropyl-4-(naphthalen-1-ylmethyl)-1,2,4-triazole
CID 63385204
4-[2-[[4-benzyl-5-[1-(thiophen-3-ylmethyl)piperidin-4-yl]-1,2,4-triazol-3-yl]sulfanyl]ethyl]morpholine
CID 26275280
1-[[4-methyl-5-[1-(thiophen-3-ylmethyl)piperidin-4-yl]-1,2,4-triazol-3-yl]methyl]piperidin-4-ol
CID 70751821
3-chloro-5-cyclopropyl-4-propyl-1,2,4-triazole
CID 63384392
3-chloro-8-(thiophen-3-ylmethyl)-8-azabicyclo[3.2.1]octane
CID 63764692
4-[4-methyl-5-(2-piperidin-1-ylethylsulfanyl)-1,2,4-triazol-3-yl]-1-(thiophen-3-ylmethyl)piperidine
CID 26352610
3-chloro-5-cyclopropyl-4-[2-(3-methylphenyl)ethyl]-1,2,4-triazole
CID 63385046
5-[(4-benzyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]-3-thiophen-3-yl-1,2,4-oxadiazole
CID 17445186
(3S)-3-(4-fluorophenyl)-1-(thiophen-3-ylmethyl)pyrrolidine
CID 95869700

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-cyclopropyl-4-(thiophen-3-ylmethyl)-1,2,4-triazole?
The IUPAC name of 3-chloro-5-cyclopropyl-4-(thiophen-3-ylmethyl)-1,2,4-triazole (CID 63385744) is 3-chloro-5-cyclopropyl-4-(thiophen-3-ylmethyl)-1,2,4-triazole.
What is the SMILES notation for 3-chloro-5-cyclopropyl-4-(thiophen-3-ylmethyl)-1,2,4-triazole?
The canonical SMILES for 3-chloro-5-cyclopropyl-4-(thiophen-3-ylmethyl)-1,2,4-triazole is Clc1nnc(C2CC2)n1Cc1ccsc1.
What is the InChIKey of 3-chloro-5-cyclopropyl-4-(thiophen-3-ylmethyl)-1,2,4-triazole?
The InChIKey is YVUPDFHHGYSULK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN3S/c11-10-13-12-9(8-1-2-8)14(10)5-7-3-4-15-6-7/h3-4,6,8H,1-2,5H2.
What are the key properties of 3-chloro-5-cyclopropyl-4-(thiophen-3-ylmethyl)-1,2,4-triazole?
3-chloro-5-cyclopropyl-4-(thiophen-3-ylmethyl)-1,2,4-triazole has a molecular weight of 239.73 g/mol, XLogP of 2.92, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-cyclopropyl-4-(thiophen-3-ylmethyl)-1,2,4-triazole is sourced from PubChem (CID 63385744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).