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

C10H12FN5O — CID 123997736

IUPAC1-(5-fluoropyrimidin-4-yl)-4-(1,2,4-triazol-1-yl)butan-2-ol
SMILESOC(CCn1cncn1)Cc1ncncc1F
InChIInChI=1S/C10H12FN5O/c11-9-4-12-5-14-10(9)3-8(17)1-2-16-7-13-6-15-16/h4-8,17H,1-3H2
InChIKeyNBKOEFYXXLRYSS-UHFFFAOYSA-N
MW237.24 g/mol
LogP0.20
Rot. Bonds5

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

1-(5-fluoropyrimidin-4-yl)-4-(1,2,4-triazol-1-yl)butan-2-ol (PubChem CID 123997736) has the molecular formula C10H12FN5O and a molecular weight of 237.24 g/mol. Its IUPAC name is 1-(5-fluoropyrimidin-4-yl)-4-(1,2,4-triazol-1-yl)butan-2-ol.

Molecular Properties

Compound Name1-(5-fluoropyrimidin-4-yl)-4-(1,2,4-triazol-1-yl)butan-2-ol
PubChem CID123997736
Molecular FormulaC10H12FN5O
Molecular Weight237.24 g/mol
Exact Mass237.10
IUPAC Name1-(5-fluoropyrimidin-4-yl)-4-(1,2,4-triazol-1-yl)butan-2-ol
SMILESOC(CCn1cncn1)Cc1ncncc1F
InChIInChI=1S/C10H12FN5O/c11-9-4-12-5-14-10(9)3-8(17)1-2-16-7-13-6-15-16/h4-8,17H,1-3H2
InChIKeyNBKOEFYXXLRYSS-UHFFFAOYSA-N
XLogP0.20
TPSA76.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.24
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoropyrimidin-4-yl)-4-(1,2,4-triazol-1-yl)butan-2-ol?
The IUPAC name of 1-(5-fluoropyrimidin-4-yl)-4-(1,2,4-triazol-1-yl)butan-2-ol (CID 123997736) is 1-(5-fluoropyrimidin-4-yl)-4-(1,2,4-triazol-1-yl)butan-2-ol.
What is the SMILES notation for 1-(5-fluoropyrimidin-4-yl)-4-(1,2,4-triazol-1-yl)butan-2-ol?
The canonical SMILES for 1-(5-fluoropyrimidin-4-yl)-4-(1,2,4-triazol-1-yl)butan-2-ol is OC(CCn1cncn1)Cc1ncncc1F.
What is the InChIKey of 1-(5-fluoropyrimidin-4-yl)-4-(1,2,4-triazol-1-yl)butan-2-ol?
The InChIKey is NBKOEFYXXLRYSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FN5O/c11-9-4-12-5-14-10(9)3-8(17)1-2-16-7-13-6-15-16/h4-8,17H,1-3H2.
What are the key properties of 1-(5-fluoropyrimidin-4-yl)-4-(1,2,4-triazol-1-yl)butan-2-ol?
1-(5-fluoropyrimidin-4-yl)-4-(1,2,4-triazol-1-yl)butan-2-ol has a molecular weight of 237.24 g/mol, XLogP of 0.20, 5 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)-4-(1,2,4-triazol-1-yl)butan-2-ol is sourced from PubChem (CID 123997736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).