3-(1-trityl-1,2,4-triazol-3-yl)propan-1-ol

C24H23N3O — CID 66769271

IUPAC3-(1-trityl-1,2,4-triazol-3-yl)propan-1-ol
SMILESOCCCc1ncn(C(c2ccccc2)(c2ccccc2)c2ccccc2)n1
InChIInChI=1S/C24H23N3O/c28-18-10-17-23-25-19-27(26-23)24(20-11-4-1-5-12-20,21-13-6-2-7-14-21)22-15-8-3-9-16-22/h1-9,11-16,19,28H,10,17-18H2
InChIKeyWZRQWDRIKYVBTR-UHFFFAOYSA-N
MW369.47 g/mol
LogP4.04
Rot. Bonds7

About 3-(1-trityl-1,2,4-triazol-3-yl)propan-1-ol

3-(1-trityl-1,2,4-triazol-3-yl)propan-1-ol (PubChem CID 66769271) has the molecular formula C24H23N3O and a molecular weight of 369.47 g/mol. Its IUPAC name is 3-(1-trityl-1,2,4-triazol-3-yl)propan-1-ol.

Molecular Properties

Compound Name3-(1-trityl-1,2,4-triazol-3-yl)propan-1-ol
PubChem CID66769271
Molecular FormulaC24H23N3O
Molecular Weight369.47 g/mol
Exact Mass369.18
IUPAC Name3-(1-trityl-1,2,4-triazol-3-yl)propan-1-ol
SMILESOCCCc1ncn(C(c2ccccc2)(c2ccccc2)c2ccccc2)n1
InChIInChI=1S/C24H23N3O/c28-18-10-17-23-25-19-27(26-23)24(20-11-4-1-5-12-20,21-13-6-2-7-14-21)22-15-8-3-9-16-22/h1-9,11-16,19,28H,10,17-18H2
InChIKeyWZRQWDRIKYVBTR-UHFFFAOYSA-N
XLogP4.04
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(1-trityl-1,2,4-triazol-3-yl)propan-1-ol?
The IUPAC name of 3-(1-trityl-1,2,4-triazol-3-yl)propan-1-ol (CID 66769271) is 3-(1-trityl-1,2,4-triazol-3-yl)propan-1-ol.
What is the SMILES notation for 3-(1-trityl-1,2,4-triazol-3-yl)propan-1-ol?
The canonical SMILES for 3-(1-trityl-1,2,4-triazol-3-yl)propan-1-ol is OCCCc1ncn(C(c2ccccc2)(c2ccccc2)c2ccccc2)n1.
What is the InChIKey of 3-(1-trityl-1,2,4-triazol-3-yl)propan-1-ol?
The InChIKey is WZRQWDRIKYVBTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O/c28-18-10-17-23-25-19-27(26-23)24(20-11-4-1-5-12-20,21-13-6-2-7-14-21)22-15-8-3-9-16-22/h1-9,11-16,19,28H,10,17-18H2.
What are the key properties of 3-(1-trityl-1,2,4-triazol-3-yl)propan-1-ol?
3-(1-trityl-1,2,4-triazol-3-yl)propan-1-ol has a molecular weight of 369.47 g/mol, XLogP of 4.04, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-trityl-1,2,4-triazol-3-yl)propan-1-ol is sourced from PubChem (CID 66769271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).