1-(3-methylcyclopentyl)-4-thiophen-2-yltriazole

C12H15N3S — CID 126836996

IUPAC1-(3-methylcyclopentyl)-4-thiophen-2-yltriazole
SMILESCC1CCC(n2cc(-c3cccs3)nn2)C1
InChIInChI=1S/C12H15N3S/c1-9-4-5-10(7-9)15-8-11(13-14-15)12-3-2-6-16-12/h2-3,6,8-10H,4-5,7H2,1H3
InChIKeyYHUWOBQRZZYTPH-UHFFFAOYSA-N
MW233.34 g/mol
LogP3.37
Rot. Bonds2

About 1-(3-methylcyclopentyl)-4-thiophen-2-yltriazole

1-(3-methylcyclopentyl)-4-thiophen-2-yltriazole (PubChem CID 126836996) has the molecular formula C12H15N3S and a molecular weight of 233.34 g/mol. Its IUPAC name is 1-(3-methylcyclopentyl)-4-thiophen-2-yltriazole.

Molecular Properties

Compound Name1-(3-methylcyclopentyl)-4-thiophen-2-yltriazole
PubChem CID126836996
Molecular FormulaC12H15N3S
Molecular Weight233.34 g/mol
Exact Mass233.10
IUPAC Name1-(3-methylcyclopentyl)-4-thiophen-2-yltriazole
SMILESCC1CCC(n2cc(-c3cccs3)nn2)C1
InChIInChI=1S/C12H15N3S/c1-9-4-5-10(7-9)15-8-11(13-14-15)12-3-2-6-16-12/h2-3,6,8-10H,4-5,7H2,1H3
InChIKeyYHUWOBQRZZYTPH-UHFFFAOYSA-N
XLogP3.37
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.34
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methylcyclopentyl)-4-thiophen-2-yltriazole?
The IUPAC name of 1-(3-methylcyclopentyl)-4-thiophen-2-yltriazole (CID 126836996) is 1-(3-methylcyclopentyl)-4-thiophen-2-yltriazole.
What is the SMILES notation for 1-(3-methylcyclopentyl)-4-thiophen-2-yltriazole?
The canonical SMILES for 1-(3-methylcyclopentyl)-4-thiophen-2-yltriazole is CC1CCC(n2cc(-c3cccs3)nn2)C1.
What is the InChIKey of 1-(3-methylcyclopentyl)-4-thiophen-2-yltriazole?
The InChIKey is YHUWOBQRZZYTPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3S/c1-9-4-5-10(7-9)15-8-11(13-14-15)12-3-2-6-16-12/h2-3,6,8-10H,4-5,7H2,1H3.
What are the key properties of 1-(3-methylcyclopentyl)-4-thiophen-2-yltriazole?
1-(3-methylcyclopentyl)-4-thiophen-2-yltriazole has a molecular weight of 233.34 g/mol, XLogP of 3.37, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylcyclopentyl)-4-thiophen-2-yltriazole is sourced from PubChem (CID 126836996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).