1-(3,5-dimethyl-1,2,4-triazol-1-yl)-3-naphthalen-2-yloxypropan-2-ol

C17H19N3O2 — CID 2956716

IUPAC1-(3,5-dimethyl-1,2,4-triazol-1-yl)-3-naphthalen-2-yloxypropan-2-ol
SMILESCc1nc(C)n(CC(O)COc2ccc3ccccc3c2)n1
InChIInChI=1S/C17H19N3O2/c1-12-18-13(2)20(19-12)10-16(21)11-22-17-8-7-14-5-3-4-6-15(14)9-17/h3-9,16,21H,10-11H2,1-2H3
InChIKeyAIXMJABFAIXRQT-UHFFFAOYSA-N
MW297.36 g/mol
LogP2.49
Rot. Bonds5

About 1-(3,5-dimethyl-1,2,4-triazol-1-yl)-3-naphthalen-2-yloxypropan-2-ol

1-(3,5-dimethyl-1,2,4-triazol-1-yl)-3-naphthalen-2-yloxypropan-2-ol (PubChem CID 2956716) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is 1-(3,5-dimethyl-1,2,4-triazol-1-yl)-3-naphthalen-2-yloxypropan-2-ol.

Molecular Properties

Compound Name1-(3,5-dimethyl-1,2,4-triazol-1-yl)-3-naphthalen-2-yloxypropan-2-ol
PubChem CID2956716
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC Name1-(3,5-dimethyl-1,2,4-triazol-1-yl)-3-naphthalen-2-yloxypropan-2-ol
SMILESCc1nc(C)n(CC(O)COc2ccc3ccccc3c2)n1
InChIInChI=1S/C17H19N3O2/c1-12-18-13(2)20(19-12)10-16(21)11-22-17-8-7-14-5-3-4-6-15(14)9-17/h3-9,16,21H,10-11H2,1-2H3
InChIKeyAIXMJABFAIXRQT-UHFFFAOYSA-N
XLogP2.49
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethyl-1,2,4-triazol-1-yl)-3-naphthalen-2-yloxypropan-2-ol?
The IUPAC name of 1-(3,5-dimethyl-1,2,4-triazol-1-yl)-3-naphthalen-2-yloxypropan-2-ol (CID 2956716) is 1-(3,5-dimethyl-1,2,4-triazol-1-yl)-3-naphthalen-2-yloxypropan-2-ol.
What is the SMILES notation for 1-(3,5-dimethyl-1,2,4-triazol-1-yl)-3-naphthalen-2-yloxypropan-2-ol?
The canonical SMILES for 1-(3,5-dimethyl-1,2,4-triazol-1-yl)-3-naphthalen-2-yloxypropan-2-ol is Cc1nc(C)n(CC(O)COc2ccc3ccccc3c2)n1.
What is the InChIKey of 1-(3,5-dimethyl-1,2,4-triazol-1-yl)-3-naphthalen-2-yloxypropan-2-ol?
The InChIKey is AIXMJABFAIXRQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2/c1-12-18-13(2)20(19-12)10-16(21)11-22-17-8-7-14-5-3-4-6-15(14)9-17/h3-9,16,21H,10-11H2,1-2H3.
What are the key properties of 1-(3,5-dimethyl-1,2,4-triazol-1-yl)-3-naphthalen-2-yloxypropan-2-ol?
1-(3,5-dimethyl-1,2,4-triazol-1-yl)-3-naphthalen-2-yloxypropan-2-ol has a molecular weight of 297.36 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethyl-1,2,4-triazol-1-yl)-3-naphthalen-2-yloxypropan-2-ol is sourced from PubChem (CID 2956716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).