[4-[2-ethyl-5-(oxan-4-yl)-1,2,4-triazol-3-yl]phenyl]methanol

C16H21N3O2 — CID 74250851

IUPAC[4-[2-ethyl-5-(oxan-4-yl)-1,2,4-triazol-3-yl]phenyl]methanol
SMILESCCn1nc(C2CCOCC2)nc1-c1ccc(CO)cc1
InChIInChI=1S/C16H21N3O2/c1-2-19-16(14-5-3-12(11-20)4-6-14)17-15(18-19)13-7-9-21-10-8-13/h3-6,13,20H,2,7-11H2,1H3
InChIKeySXFHMKPGCYAWFQ-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.35
Rot. Bonds4

About [4-[2-ethyl-5-(oxan-4-yl)-1,2,4-triazol-3-yl]phenyl]methanol

[4-[2-ethyl-5-(oxan-4-yl)-1,2,4-triazol-3-yl]phenyl]methanol (PubChem CID 74250851) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is [4-[2-ethyl-5-(oxan-4-yl)-1,2,4-triazol-3-yl]phenyl]methanol.

Molecular Properties

Compound Name[4-[2-ethyl-5-(oxan-4-yl)-1,2,4-triazol-3-yl]phenyl]methanol
PubChem CID74250851
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name[4-[2-ethyl-5-(oxan-4-yl)-1,2,4-triazol-3-yl]phenyl]methanol
SMILESCCn1nc(C2CCOCC2)nc1-c1ccc(CO)cc1
InChIInChI=1S/C16H21N3O2/c1-2-19-16(14-5-3-12(11-20)4-6-14)17-15(18-19)13-7-9-21-10-8-13/h3-6,13,20H,2,7-11H2,1H3
InChIKeySXFHMKPGCYAWFQ-UHFFFAOYSA-N
XLogP2.35
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-[2-ethyl-5-(oxan-4-yl)-1,2,4-triazol-3-yl]phenyl]methanol?
The IUPAC name of [4-[2-ethyl-5-(oxan-4-yl)-1,2,4-triazol-3-yl]phenyl]methanol (CID 74250851) is [4-[2-ethyl-5-(oxan-4-yl)-1,2,4-triazol-3-yl]phenyl]methanol.
What is the SMILES notation for [4-[2-ethyl-5-(oxan-4-yl)-1,2,4-triazol-3-yl]phenyl]methanol?
The canonical SMILES for [4-[2-ethyl-5-(oxan-4-yl)-1,2,4-triazol-3-yl]phenyl]methanol is CCn1nc(C2CCOCC2)nc1-c1ccc(CO)cc1.
What is the InChIKey of [4-[2-ethyl-5-(oxan-4-yl)-1,2,4-triazol-3-yl]phenyl]methanol?
The InChIKey is SXFHMKPGCYAWFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-2-19-16(14-5-3-12(11-20)4-6-14)17-15(18-19)13-7-9-21-10-8-13/h3-6,13,20H,2,7-11H2,1H3.
What are the key properties of [4-[2-ethyl-5-(oxan-4-yl)-1,2,4-triazol-3-yl]phenyl]methanol?
[4-[2-ethyl-5-(oxan-4-yl)-1,2,4-triazol-3-yl]phenyl]methanol has a molecular weight of 287.36 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-ethyl-5-(oxan-4-yl)-1,2,4-triazol-3-yl]phenyl]methanol is sourced from PubChem (CID 74250851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).