1-(5-fluoropyrimidin-4-yl)-1-(1,2,4-triazol-1-yl)butan-2-ol

C10H12FN5O — CID 23374709

IUPAC1-(5-fluoropyrimidin-4-yl)-1-(1,2,4-triazol-1-yl)butan-2-ol
SMILESCCC(O)C(c1ncncc1F)n1cncn1
InChIInChI=1S/C10H12FN5O/c1-2-8(17)10(16-6-13-5-15-16)9-7(11)3-12-4-14-9/h3-6,8,10,17H,2H2,1H3
InChIKeyJWJYKJRZZRHCOT-UHFFFAOYSA-N
MW237.24 g/mol
LogP0.57
Rot. Bonds4

About 1-(5-fluoropyrimidin-4-yl)-1-(1,2,4-triazol-1-yl)butan-2-ol

1-(5-fluoropyrimidin-4-yl)-1-(1,2,4-triazol-1-yl)butan-2-ol (PubChem CID 23374709) has the molecular formula C10H12FN5O and a molecular weight of 237.24 g/mol. Its IUPAC name is 1-(5-fluoropyrimidin-4-yl)-1-(1,2,4-triazol-1-yl)butan-2-ol.

Molecular Properties

Compound Name1-(5-fluoropyrimidin-4-yl)-1-(1,2,4-triazol-1-yl)butan-2-ol
PubChem CID23374709
Molecular FormulaC10H12FN5O
Molecular Weight237.24 g/mol
Exact Mass237.10
IUPAC Name1-(5-fluoropyrimidin-4-yl)-1-(1,2,4-triazol-1-yl)butan-2-ol
SMILESCCC(O)C(c1ncncc1F)n1cncn1
InChIInChI=1S/C10H12FN5O/c1-2-8(17)10(16-6-13-5-15-16)9-7(11)3-12-4-14-9/h3-6,8,10,17H,2H2,1H3
InChIKeyJWJYKJRZZRHCOT-UHFFFAOYSA-N
XLogP0.57
TPSA76.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.24
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoropyrimidin-4-yl)-1-(1,2,4-triazol-1-yl)butan-2-ol?
The IUPAC name of 1-(5-fluoropyrimidin-4-yl)-1-(1,2,4-triazol-1-yl)butan-2-ol (CID 23374709) is 1-(5-fluoropyrimidin-4-yl)-1-(1,2,4-triazol-1-yl)butan-2-ol.
What is the SMILES notation for 1-(5-fluoropyrimidin-4-yl)-1-(1,2,4-triazol-1-yl)butan-2-ol?
The canonical SMILES for 1-(5-fluoropyrimidin-4-yl)-1-(1,2,4-triazol-1-yl)butan-2-ol is CCC(O)C(c1ncncc1F)n1cncn1.
What is the InChIKey of 1-(5-fluoropyrimidin-4-yl)-1-(1,2,4-triazol-1-yl)butan-2-ol?
The InChIKey is JWJYKJRZZRHCOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FN5O/c1-2-8(17)10(16-6-13-5-15-16)9-7(11)3-12-4-14-9/h3-6,8,10,17H,2H2,1H3.
What are the key properties of 1-(5-fluoropyrimidin-4-yl)-1-(1,2,4-triazol-1-yl)butan-2-ol?
1-(5-fluoropyrimidin-4-yl)-1-(1,2,4-triazol-1-yl)butan-2-ol has a molecular weight of 237.24 g/mol, XLogP of 0.57, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoropyrimidin-4-yl)-1-(1,2,4-triazol-1-yl)butan-2-ol is sourced from PubChem (CID 23374709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).