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

C14H18ClN3O — CID 82205745

IUPAC[5-(2-chlorophenyl)-1-pentyltriazol-4-yl]methanol
SMILESCCCCCn1nnc(CO)c1-c1ccccc1Cl
InChIInChI=1S/C14H18ClN3O/c1-2-3-6-9-18-14(13(10-19)16-17-18)11-7-4-5-8-12(11)15/h4-5,7-8,19H,2-3,6,9-10H2,1H3
InChIKeyLRWXPKASJSGIET-UHFFFAOYSA-N
MW279.77 g/mol
LogP3.28
Rot. Bonds6

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

[5-(2-chlorophenyl)-1-pentyltriazol-4-yl]methanol (PubChem CID 82205745) has the molecular formula C14H18ClN3O and a molecular weight of 279.77 g/mol. Its IUPAC name is [5-(2-chlorophenyl)-1-pentyltriazol-4-yl]methanol.

Molecular Properties

Compound Name[5-(2-chlorophenyl)-1-pentyltriazol-4-yl]methanol
PubChem CID82205745
Molecular FormulaC14H18ClN3O
Molecular Weight279.77 g/mol
Exact Mass279.11
IUPAC Name[5-(2-chlorophenyl)-1-pentyltriazol-4-yl]methanol
SMILESCCCCCn1nnc(CO)c1-c1ccccc1Cl
InChIInChI=1S/C14H18ClN3O/c1-2-3-6-9-18-14(13(10-19)16-17-18)11-7-4-5-8-12(11)15/h4-5,7-8,19H,2-3,6,9-10H2,1H3
InChIKeyLRWXPKASJSGIET-UHFFFAOYSA-N
XLogP3.28
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.77
LogP ≤ 53.28
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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Related Compounds

[1-heptyl-5-(2-methoxyphenyl)triazol-4-yl]methanol
CID 82208051
[5-(2-bromophenyl)-1-butyltriazol-4-yl]methanol
CID 94943947
5-(2-chlorophenyl)-1-heptyltriazole-4-carbaldehyde
CID 98824375
5-(2-chlorophenyl)-1-heptyltriazole-4-carbonitrile
CID 82208078
[5-(4-methylphenyl)-1-pentyltriazol-4-yl]methanol
CID 82205678
[1-butyl-5-(3,4-dichlorophenyl)triazol-4-yl]methanol
CID 82205346
3-[5-(2-bromophenyl)-4-(hydroxymethyl)triazol-1-yl]propan-1-ol
CID 94946313
[5-(4-fluorophenyl)-1-heptyltriazol-4-yl]methanol
CID 82208048
[5-(4-tert-butylphenyl)-1-pentyltriazol-4-yl]methanol
CID 82205705
[1-heptyl-5-(3-methylphenyl)triazol-4-yl]methanol
CID 82208036
(1-hexyl-5-pyridin-3-yltriazol-4-yl)methanol
CID 82206041
[1-heptyl-5-(2-methoxyphenyl)triazol-4-yl]methanamine
CID 82208122

Frequently Asked Questions

What is the IUPAC name of [5-(2-chlorophenyl)-1-pentyltriazol-4-yl]methanol?
The IUPAC name of [5-(2-chlorophenyl)-1-pentyltriazol-4-yl]methanol (CID 82205745) is [5-(2-chlorophenyl)-1-pentyltriazol-4-yl]methanol.
What is the SMILES notation for [5-(2-chlorophenyl)-1-pentyltriazol-4-yl]methanol?
The canonical SMILES for [5-(2-chlorophenyl)-1-pentyltriazol-4-yl]methanol is CCCCCn1nnc(CO)c1-c1ccccc1Cl.
What is the InChIKey of [5-(2-chlorophenyl)-1-pentyltriazol-4-yl]methanol?
The InChIKey is LRWXPKASJSGIET-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3O/c1-2-3-6-9-18-14(13(10-19)16-17-18)11-7-4-5-8-12(11)15/h4-5,7-8,19H,2-3,6,9-10H2,1H3.
What are the key properties of [5-(2-chlorophenyl)-1-pentyltriazol-4-yl]methanol?
[5-(2-chlorophenyl)-1-pentyltriazol-4-yl]methanol has a molecular weight of 279.77 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-chlorophenyl)-1-pentyltriazol-4-yl]methanol is sourced from PubChem (CID 82205745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).