1-[3-(3-fluorophenyl)-5-(2-morpholin-4-ylpropyl)-1,2,4-triazol-1-yl]-2-methylpropan-2-ol

C19H27FN4O2 — CID 131889266

IUPAC1-[3-(3-fluorophenyl)-5-(2-morpholin-4-ylpropyl)-1,2,4-triazol-1-yl]-2-methylpropan-2-ol
SMILESCC(Cc1nc(-c2cccc(F)c2)nn1CC(C)(C)O)N1CCOCC1
InChIInChI=1S/C19H27FN4O2/c1-14(23-7-9-26-10-8-23)11-17-21-18(15-5-4-6-16(20)12-15)22-24(17)13-19(2,3)25/h4-6,12,14,25H,7-11,13H2,1-3H3
InChIKeyRZUQPSRZKYBBEX-UHFFFAOYSA-N
MW362.45 g/mol
LogP2.12
Rot. Bonds6

About 1-[3-(3-fluorophenyl)-5-(2-morpholin-4-ylpropyl)-1,2,4-triazol-1-yl]-2-methylpropan-2-ol

1-[3-(3-fluorophenyl)-5-(2-morpholin-4-ylpropyl)-1,2,4-triazol-1-yl]-2-methylpropan-2-ol (PubChem CID 131889266) has the molecular formula C19H27FN4O2 and a molecular weight of 362.45 g/mol. Its IUPAC name is 1-[3-(3-fluorophenyl)-5-(2-morpholin-4-ylpropyl)-1,2,4-triazol-1-yl]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[3-(3-fluorophenyl)-5-(2-morpholin-4-ylpropyl)-1,2,4-triazol-1-yl]-2-methylpropan-2-ol
PubChem CID131889266
Molecular FormulaC19H27FN4O2
Molecular Weight362.45 g/mol
Exact Mass362.21
IUPAC Name1-[3-(3-fluorophenyl)-5-(2-morpholin-4-ylpropyl)-1,2,4-triazol-1-yl]-2-methylpropan-2-ol
SMILESCC(Cc1nc(-c2cccc(F)c2)nn1CC(C)(C)O)N1CCOCC1
InChIInChI=1S/C19H27FN4O2/c1-14(23-7-9-26-10-8-23)11-17-21-18(15-5-4-6-16(20)12-15)22-24(17)13-19(2,3)25/h4-6,12,14,25H,7-11,13H2,1-3H3
InChIKeyRZUQPSRZKYBBEX-UHFFFAOYSA-N
XLogP2.12
TPSA63.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.45
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-fluorophenyl)-5-(2-morpholin-4-ylpropyl)-1,2,4-triazol-1-yl]-2-methylpropan-2-ol?
The IUPAC name of 1-[3-(3-fluorophenyl)-5-(2-morpholin-4-ylpropyl)-1,2,4-triazol-1-yl]-2-methylpropan-2-ol (CID 131889266) is 1-[3-(3-fluorophenyl)-5-(2-morpholin-4-ylpropyl)-1,2,4-triazol-1-yl]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[3-(3-fluorophenyl)-5-(2-morpholin-4-ylpropyl)-1,2,4-triazol-1-yl]-2-methylpropan-2-ol?
The canonical SMILES for 1-[3-(3-fluorophenyl)-5-(2-morpholin-4-ylpropyl)-1,2,4-triazol-1-yl]-2-methylpropan-2-ol is CC(Cc1nc(-c2cccc(F)c2)nn1CC(C)(C)O)N1CCOCC1.
What is the InChIKey of 1-[3-(3-fluorophenyl)-5-(2-morpholin-4-ylpropyl)-1,2,4-triazol-1-yl]-2-methylpropan-2-ol?
The InChIKey is RZUQPSRZKYBBEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27FN4O2/c1-14(23-7-9-26-10-8-23)11-17-21-18(15-5-4-6-16(20)12-15)22-24(17)13-19(2,3)25/h4-6,12,14,25H,7-11,13H2,1-3H3.
What are the key properties of 1-[3-(3-fluorophenyl)-5-(2-morpholin-4-ylpropyl)-1,2,4-triazol-1-yl]-2-methylpropan-2-ol?
1-[3-(3-fluorophenyl)-5-(2-morpholin-4-ylpropyl)-1,2,4-triazol-1-yl]-2-methylpropan-2-ol has a molecular weight of 362.45 g/mol, XLogP of 2.12, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-fluorophenyl)-5-(2-morpholin-4-ylpropyl)-1,2,4-triazol-1-yl]-2-methylpropan-2-ol is sourced from PubChem (CID 131889266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).