1,1,1-trifluoro-3-[2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidin-1-yl]propan-2-ol

C10H15F3N4O — CID 136531537

IUPAC1,1,1-trifluoro-3-[2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidin-1-yl]propan-2-ol
SMILESCn1cnnc1C1CCCN1CC(O)C(F)(F)F
InChIInChI=1S/C10H15F3N4O/c1-16-6-14-15-9(16)7-3-2-4-17(7)5-8(18)10(11,12)13/h6-8,18H,2-5H2,1H3
InChIKeyQDYTUMOCMQWKIH-UHFFFAOYSA-N
MW264.25 g/mol
LogP0.88
Rot. Bonds3

About 1,1,1-trifluoro-3-[2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidin-1-yl]propan-2-ol

1,1,1-trifluoro-3-[2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidin-1-yl]propan-2-ol (PubChem CID 136531537) has the molecular formula C10H15F3N4O and a molecular weight of 264.25 g/mol. Its IUPAC name is 1,1,1-trifluoro-3-[2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidin-1-yl]propan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-3-[2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidin-1-yl]propan-2-ol
PubChem CID136531537
Molecular FormulaC10H15F3N4O
Molecular Weight264.25 g/mol
Exact Mass264.12
IUPAC Name1,1,1-trifluoro-3-[2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidin-1-yl]propan-2-ol
SMILESCn1cnnc1C1CCCN1CC(O)C(F)(F)F
InChIInChI=1S/C10H15F3N4O/c1-16-6-14-15-9(16)7-3-2-4-17(7)5-8(18)10(11,12)13/h6-8,18H,2-5H2,1H3
InChIKeyQDYTUMOCMQWKIH-UHFFFAOYSA-N
XLogP0.88
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.25
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-3-[2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidin-1-yl]propan-2-ol?
The IUPAC name of 1,1,1-trifluoro-3-[2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidin-1-yl]propan-2-ol (CID 136531537) is 1,1,1-trifluoro-3-[2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidin-1-yl]propan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-3-[2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidin-1-yl]propan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-3-[2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidin-1-yl]propan-2-ol is Cn1cnnc1C1CCCN1CC(O)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-3-[2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidin-1-yl]propan-2-ol?
The InChIKey is QDYTUMOCMQWKIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N4O/c1-16-6-14-15-9(16)7-3-2-4-17(7)5-8(18)10(11,12)13/h6-8,18H,2-5H2,1H3.
What are the key properties of 1,1,1-trifluoro-3-[2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidin-1-yl]propan-2-ol?
1,1,1-trifluoro-3-[2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidin-1-yl]propan-2-ol has a molecular weight of 264.25 g/mol, XLogP of 0.88, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-3-[2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidin-1-yl]propan-2-ol is sourced from PubChem (CID 136531537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).