4-[2-(3-methylthiophen-2-yl)propyl]-2H-triazole

C10H13N3S — CID 112718190

IUPAC4-[2-(3-methylthiophen-2-yl)propyl]-2H-triazole
SMILESCc1ccsc1C(C)Cc1cn[nH]n1
InChIInChI=1S/C10H13N3S/c1-7-3-4-14-10(7)8(2)5-9-6-11-13-12-9/h3-4,6,8H,5H2,1-2H3,(H,11,12,13)
InChIKeyMIYWQEKFULMPLZ-UHFFFAOYSA-N
MW207.30 g/mol
LogP2.52
Rot. Bonds3

About 4-[2-(3-methylthiophen-2-yl)propyl]-2H-triazole

4-[2-(3-methylthiophen-2-yl)propyl]-2H-triazole (PubChem CID 112718190) has the molecular formula C10H13N3S and a molecular weight of 207.30 g/mol. Its IUPAC name is 4-[2-(3-methylthiophen-2-yl)propyl]-2H-triazole.

Molecular Properties

Compound Name4-[2-(3-methylthiophen-2-yl)propyl]-2H-triazole
PubChem CID112718190
Molecular FormulaC10H13N3S
Molecular Weight207.30 g/mol
Exact Mass207.08
IUPAC Name4-[2-(3-methylthiophen-2-yl)propyl]-2H-triazole
SMILESCc1ccsc1C(C)Cc1cn[nH]n1
InChIInChI=1S/C10H13N3S/c1-7-3-4-14-10(7)8(2)5-9-6-11-13-12-9/h3-4,6,8H,5H2,1-2H3,(H,11,12,13)
InChIKeyMIYWQEKFULMPLZ-UHFFFAOYSA-N
XLogP2.52
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.30
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-methylthiophen-2-yl)propyl]-2H-triazole?
The IUPAC name of 4-[2-(3-methylthiophen-2-yl)propyl]-2H-triazole (CID 112718190) is 4-[2-(3-methylthiophen-2-yl)propyl]-2H-triazole.
What is the SMILES notation for 4-[2-(3-methylthiophen-2-yl)propyl]-2H-triazole?
The canonical SMILES for 4-[2-(3-methylthiophen-2-yl)propyl]-2H-triazole is Cc1ccsc1C(C)Cc1cn[nH]n1.
What is the InChIKey of 4-[2-(3-methylthiophen-2-yl)propyl]-2H-triazole?
The InChIKey is MIYWQEKFULMPLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3S/c1-7-3-4-14-10(7)8(2)5-9-6-11-13-12-9/h3-4,6,8H,5H2,1-2H3,(H,11,12,13).
What are the key properties of 4-[2-(3-methylthiophen-2-yl)propyl]-2H-triazole?
4-[2-(3-methylthiophen-2-yl)propyl]-2H-triazole has a molecular weight of 207.30 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-methylthiophen-2-yl)propyl]-2H-triazole is sourced from PubChem (CID 112718190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).