[1-(naphthalen-2-ylmethyl)-5-pentyltriazol-4-yl]methanol

C19H23N3O — CID 162656470

IUPAC[1-(naphthalen-2-ylmethyl)-5-pentyltriazol-4-yl]methanol
SMILESCCCCCc1c(CO)nnn1Cc1ccc2ccccc2c1
InChIInChI=1S/C19H23N3O/c1-2-3-4-9-19-18(14-23)20-21-22(19)13-15-10-11-16-7-5-6-8-17(16)12-15/h5-8,10-12,23H,2-4,9,13-14H2,1H3
InChIKeyBCCOJLXLECXNQO-UHFFFAOYSA-N
MW309.41 g/mol
LogP3.70
Rot. Bonds7

About [1-(naphthalen-2-ylmethyl)-5-pentyltriazol-4-yl]methanol

[1-(naphthalen-2-ylmethyl)-5-pentyltriazol-4-yl]methanol (PubChem CID 162656470) has the molecular formula C19H23N3O and a molecular weight of 309.41 g/mol. Its IUPAC name is [1-(naphthalen-2-ylmethyl)-5-pentyltriazol-4-yl]methanol.

Molecular Properties

Compound Name[1-(naphthalen-2-ylmethyl)-5-pentyltriazol-4-yl]methanol
PubChem CID162656470
Molecular FormulaC19H23N3O
Molecular Weight309.41 g/mol
Exact Mass309.18
IUPAC Name[1-(naphthalen-2-ylmethyl)-5-pentyltriazol-4-yl]methanol
SMILESCCCCCc1c(CO)nnn1Cc1ccc2ccccc2c1
InChIInChI=1S/C19H23N3O/c1-2-3-4-9-19-18(14-23)20-21-22(19)13-15-10-11-16-7-5-6-8-17(16)12-15/h5-8,10-12,23H,2-4,9,13-14H2,1H3
InChIKeyBCCOJLXLECXNQO-UHFFFAOYSA-N
XLogP3.70
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [1-(naphthalen-2-ylmethyl)-5-pentyltriazol-4-yl]methanol?
The IUPAC name of [1-(naphthalen-2-ylmethyl)-5-pentyltriazol-4-yl]methanol (CID 162656470) is [1-(naphthalen-2-ylmethyl)-5-pentyltriazol-4-yl]methanol.
What is the SMILES notation for [1-(naphthalen-2-ylmethyl)-5-pentyltriazol-4-yl]methanol?
The canonical SMILES for [1-(naphthalen-2-ylmethyl)-5-pentyltriazol-4-yl]methanol is CCCCCc1c(CO)nnn1Cc1ccc2ccccc2c1.
What is the InChIKey of [1-(naphthalen-2-ylmethyl)-5-pentyltriazol-4-yl]methanol?
The InChIKey is BCCOJLXLECXNQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O/c1-2-3-4-9-19-18(14-23)20-21-22(19)13-15-10-11-16-7-5-6-8-17(16)12-15/h5-8,10-12,23H,2-4,9,13-14H2,1H3.
What are the key properties of [1-(naphthalen-2-ylmethyl)-5-pentyltriazol-4-yl]methanol?
[1-(naphthalen-2-ylmethyl)-5-pentyltriazol-4-yl]methanol has a molecular weight of 309.41 g/mol, XLogP of 3.70, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(naphthalen-2-ylmethyl)-5-pentyltriazol-4-yl]methanol is sourced from PubChem (CID 162656470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).