5-[1-[(1R)-1-thiophen-2-ylbutyl]triazol-4-yl]pyrimidine

C14H15N5S — CID 97188240

IUPAC5-[1-[(1R)-1-thiophen-2-ylbutyl]triazol-4-yl]pyrimidine
SMILESCCC[C@H](c1cccs1)n1cc(-c2cncnc2)nn1
InChIInChI=1S/C14H15N5S/c1-2-4-13(14-5-3-6-20-14)19-9-12(17-18-19)11-7-15-10-16-8-11/h3,5-10,13H,2,4H2,1H3/t13-/m1/s1
InChIKeyGWJKRFWJDMNEFL-CYBMUJFWSA-N
MW285.38 g/mol
LogP3.19
Rot. Bonds5

About 5-[1-[(1R)-1-thiophen-2-ylbutyl]triazol-4-yl]pyrimidine

5-[1-[(1R)-1-thiophen-2-ylbutyl]triazol-4-yl]pyrimidine (PubChem CID 97188240) has the molecular formula C14H15N5S and a molecular weight of 285.38 g/mol. Its IUPAC name is 5-[1-[(1R)-1-thiophen-2-ylbutyl]triazol-4-yl]pyrimidine.

Molecular Properties

Compound Name5-[1-[(1R)-1-thiophen-2-ylbutyl]triazol-4-yl]pyrimidine
PubChem CID97188240
Molecular FormulaC14H15N5S
Molecular Weight285.38 g/mol
Exact Mass285.10
IUPAC Name5-[1-[(1R)-1-thiophen-2-ylbutyl]triazol-4-yl]pyrimidine
SMILESCCC[C@H](c1cccs1)n1cc(-c2cncnc2)nn1
InChIInChI=1S/C14H15N5S/c1-2-4-13(14-5-3-6-20-14)19-9-12(17-18-19)11-7-15-10-16-8-11/h3,5-10,13H,2,4H2,1H3/t13-/m1/s1
InChIKeyGWJKRFWJDMNEFL-CYBMUJFWSA-N
XLogP3.19
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.38
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[1-[(1R)-1-thiophen-2-ylbutyl]triazol-4-yl]pyrimidine?
The IUPAC name of 5-[1-[(1R)-1-thiophen-2-ylbutyl]triazol-4-yl]pyrimidine (CID 97188240) is 5-[1-[(1R)-1-thiophen-2-ylbutyl]triazol-4-yl]pyrimidine.
What is the SMILES notation for 5-[1-[(1R)-1-thiophen-2-ylbutyl]triazol-4-yl]pyrimidine?
The canonical SMILES for 5-[1-[(1R)-1-thiophen-2-ylbutyl]triazol-4-yl]pyrimidine is CCC[C@H](c1cccs1)n1cc(-c2cncnc2)nn1.
What is the InChIKey of 5-[1-[(1R)-1-thiophen-2-ylbutyl]triazol-4-yl]pyrimidine?
The InChIKey is GWJKRFWJDMNEFL-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H15N5S/c1-2-4-13(14-5-3-6-20-14)19-9-12(17-18-19)11-7-15-10-16-8-11/h3,5-10,13H,2,4H2,1H3/t13-/m1/s1.
What are the key properties of 5-[1-[(1R)-1-thiophen-2-ylbutyl]triazol-4-yl]pyrimidine?
5-[1-[(1R)-1-thiophen-2-ylbutyl]triazol-4-yl]pyrimidine has a molecular weight of 285.38 g/mol, XLogP of 3.19, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[(1R)-1-thiophen-2-ylbutyl]triazol-4-yl]pyrimidine is sourced from PubChem (CID 97188240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).