1-(3-fluorophenyl)-3-[4-(1H-indazol-6-yl)triazol-1-yl]propan-2-ol

C18H16FN5O — CID 166398334

IUPAC1-(3-fluorophenyl)-3-[4-(1H-indazol-6-yl)triazol-1-yl]propan-2-ol
SMILESOC(Cc1cccc(F)c1)Cn1cc(-c2ccc3cn[nH]c3c2)nn1
InChIInChI=1S/C18H16FN5O/c19-15-3-1-2-12(6-15)7-16(25)10-24-11-18(22-23-24)13-4-5-14-9-20-21-17(14)8-13/h1-6,8-9,11,16,25H,7,10H2,(H,20,21)
InChIKeyBLBXBHHSPQUQJP-UHFFFAOYSA-N
MW337.36 g/mol
LogP2.56
Rot. Bonds5

About 1-(3-fluorophenyl)-3-[4-(1H-indazol-6-yl)triazol-1-yl]propan-2-ol

1-(3-fluorophenyl)-3-[4-(1H-indazol-6-yl)triazol-1-yl]propan-2-ol (PubChem CID 166398334) has the molecular formula C18H16FN5O and a molecular weight of 337.36 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-3-[4-(1H-indazol-6-yl)triazol-1-yl]propan-2-ol.

Molecular Properties

Compound Name1-(3-fluorophenyl)-3-[4-(1H-indazol-6-yl)triazol-1-yl]propan-2-ol
PubChem CID166398334
Molecular FormulaC18H16FN5O
Molecular Weight337.36 g/mol
Exact Mass337.13
IUPAC Name1-(3-fluorophenyl)-3-[4-(1H-indazol-6-yl)triazol-1-yl]propan-2-ol
SMILESOC(Cc1cccc(F)c1)Cn1cc(-c2ccc3cn[nH]c3c2)nn1
InChIInChI=1S/C18H16FN5O/c19-15-3-1-2-12(6-15)7-16(25)10-24-11-18(22-23-24)13-4-5-14-9-20-21-17(14)8-13/h1-6,8-9,11,16,25H,7,10H2,(H,20,21)
InChIKeyBLBXBHHSPQUQJP-UHFFFAOYSA-N
XLogP2.56
TPSA79.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.36
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-3-[4-(1H-indazol-6-yl)triazol-1-yl]propan-2-ol?
The IUPAC name of 1-(3-fluorophenyl)-3-[4-(1H-indazol-6-yl)triazol-1-yl]propan-2-ol (CID 166398334) is 1-(3-fluorophenyl)-3-[4-(1H-indazol-6-yl)triazol-1-yl]propan-2-ol.
What is the SMILES notation for 1-(3-fluorophenyl)-3-[4-(1H-indazol-6-yl)triazol-1-yl]propan-2-ol?
The canonical SMILES for 1-(3-fluorophenyl)-3-[4-(1H-indazol-6-yl)triazol-1-yl]propan-2-ol is OC(Cc1cccc(F)c1)Cn1cc(-c2ccc3cn[nH]c3c2)nn1.
What is the InChIKey of 1-(3-fluorophenyl)-3-[4-(1H-indazol-6-yl)triazol-1-yl]propan-2-ol?
The InChIKey is BLBXBHHSPQUQJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN5O/c19-15-3-1-2-12(6-15)7-16(25)10-24-11-18(22-23-24)13-4-5-14-9-20-21-17(14)8-13/h1-6,8-9,11,16,25H,7,10H2,(H,20,21).
What are the key properties of 1-(3-fluorophenyl)-3-[4-(1H-indazol-6-yl)triazol-1-yl]propan-2-ol?
1-(3-fluorophenyl)-3-[4-(1H-indazol-6-yl)triazol-1-yl]propan-2-ol has a molecular weight of 337.36 g/mol, XLogP of 2.56, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-3-[4-(1H-indazol-6-yl)triazol-1-yl]propan-2-ol is sourced from PubChem (CID 166398334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).