(4-propan-2-yloxyphenyl)-(1H-1,2,4-triazol-5-yl)methanol

C12H15N3O2 — CID 65362952

IUPAC(4-propan-2-yloxyphenyl)-(1H-1,2,4-triazol-5-yl)methanol
SMILESCC(C)Oc1ccc(C(O)c2ncn[nH]2)cc1
InChIInChI=1S/C12H15N3O2/c1-8(2)17-10-5-3-9(4-6-10)11(16)12-13-7-14-15-12/h3-8,11,16H,1-2H3,(H,13,14,15)
InChIKeyYWFGBFQQUOPOCC-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.67
Rot. Bonds4

About (4-propan-2-yloxyphenyl)-(1H-1,2,4-triazol-5-yl)methanol

(4-propan-2-yloxyphenyl)-(1H-1,2,4-triazol-5-yl)methanol (PubChem CID 65362952) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is (4-propan-2-yloxyphenyl)-(1H-1,2,4-triazol-5-yl)methanol.

Molecular Properties

Compound Name(4-propan-2-yloxyphenyl)-(1H-1,2,4-triazol-5-yl)methanol
PubChem CID65362952
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Name(4-propan-2-yloxyphenyl)-(1H-1,2,4-triazol-5-yl)methanol
SMILESCC(C)Oc1ccc(C(O)c2ncn[nH]2)cc1
InChIInChI=1S/C12H15N3O2/c1-8(2)17-10-5-3-9(4-6-10)11(16)12-13-7-14-15-12/h3-8,11,16H,1-2H3,(H,13,14,15)
InChIKeyYWFGBFQQUOPOCC-UHFFFAOYSA-N
XLogP1.67
TPSA71.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-propan-2-yloxyphenyl)-(1H-1,2,4-triazol-5-yl)methanol?
The IUPAC name of (4-propan-2-yloxyphenyl)-(1H-1,2,4-triazol-5-yl)methanol (CID 65362952) is (4-propan-2-yloxyphenyl)-(1H-1,2,4-triazol-5-yl)methanol.
What is the SMILES notation for (4-propan-2-yloxyphenyl)-(1H-1,2,4-triazol-5-yl)methanol?
The canonical SMILES for (4-propan-2-yloxyphenyl)-(1H-1,2,4-triazol-5-yl)methanol is CC(C)Oc1ccc(C(O)c2ncn[nH]2)cc1.
What is the InChIKey of (4-propan-2-yloxyphenyl)-(1H-1,2,4-triazol-5-yl)methanol?
The InChIKey is YWFGBFQQUOPOCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-8(2)17-10-5-3-9(4-6-10)11(16)12-13-7-14-15-12/h3-8,11,16H,1-2H3,(H,13,14,15).
What are the key properties of (4-propan-2-yloxyphenyl)-(1H-1,2,4-triazol-5-yl)methanol?
(4-propan-2-yloxyphenyl)-(1H-1,2,4-triazol-5-yl)methanol has a molecular weight of 233.27 g/mol, XLogP of 1.67, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-propan-2-yloxyphenyl)-(1H-1,2,4-triazol-5-yl)methanol is sourced from PubChem (CID 65362952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).