4-[1-ethyl-5-(1-fluorocyclopropyl)-1,2,4-triazol-3-yl]phenol

C13H14FN3O — CID 146512266

IUPAC4-[1-ethyl-5-(1-fluorocyclopropyl)-1,2,4-triazol-3-yl]phenol
SMILESCCn1nc(-c2ccc(O)cc2)nc1C1(F)CC1
InChIInChI=1S/C13H14FN3O/c1-2-17-12(13(14)7-8-13)15-11(16-17)9-3-5-10(18)6-4-9/h3-6,18H,2,7-8H2,1H3
InChIKeyGFCMGPGVPPQYKX-UHFFFAOYSA-N
MW247.27 g/mol
LogP2.63
Rot. Bonds3

About 4-[1-ethyl-5-(1-fluorocyclopropyl)-1,2,4-triazol-3-yl]phenol

4-[1-ethyl-5-(1-fluorocyclopropyl)-1,2,4-triazol-3-yl]phenol (PubChem CID 146512266) has the molecular formula C13H14FN3O and a molecular weight of 247.27 g/mol. Its IUPAC name is 4-[1-ethyl-5-(1-fluorocyclopropyl)-1,2,4-triazol-3-yl]phenol.

Molecular Properties

Compound Name4-[1-ethyl-5-(1-fluorocyclopropyl)-1,2,4-triazol-3-yl]phenol
PubChem CID146512266
Molecular FormulaC13H14FN3O
Molecular Weight247.27 g/mol
Exact Mass247.11
IUPAC Name4-[1-ethyl-5-(1-fluorocyclopropyl)-1,2,4-triazol-3-yl]phenol
SMILESCCn1nc(-c2ccc(O)cc2)nc1C1(F)CC1
InChIInChI=1S/C13H14FN3O/c1-2-17-12(13(14)7-8-13)15-11(16-17)9-3-5-10(18)6-4-9/h3-6,18H,2,7-8H2,1H3
InChIKeyGFCMGPGVPPQYKX-UHFFFAOYSA-N
XLogP2.63
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.27
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[1-ethyl-5-(1-fluorocyclopropyl)-1,2,4-triazol-3-yl]phenol?
The IUPAC name of 4-[1-ethyl-5-(1-fluorocyclopropyl)-1,2,4-triazol-3-yl]phenol (CID 146512266) is 4-[1-ethyl-5-(1-fluorocyclopropyl)-1,2,4-triazol-3-yl]phenol.
What is the SMILES notation for 4-[1-ethyl-5-(1-fluorocyclopropyl)-1,2,4-triazol-3-yl]phenol?
The canonical SMILES for 4-[1-ethyl-5-(1-fluorocyclopropyl)-1,2,4-triazol-3-yl]phenol is CCn1nc(-c2ccc(O)cc2)nc1C1(F)CC1.
What is the InChIKey of 4-[1-ethyl-5-(1-fluorocyclopropyl)-1,2,4-triazol-3-yl]phenol?
The InChIKey is GFCMGPGVPPQYKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3O/c1-2-17-12(13(14)7-8-13)15-11(16-17)9-3-5-10(18)6-4-9/h3-6,18H,2,7-8H2,1H3.
What are the key properties of 4-[1-ethyl-5-(1-fluorocyclopropyl)-1,2,4-triazol-3-yl]phenol?
4-[1-ethyl-5-(1-fluorocyclopropyl)-1,2,4-triazol-3-yl]phenol has a molecular weight of 247.27 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-ethyl-5-(1-fluorocyclopropyl)-1,2,4-triazol-3-yl]phenol is sourced from PubChem (CID 146512266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).