(1-hexyl-5-pyridin-3-yltriazol-4-yl)methanol

C14H20N4O — CID 82206041

IUPAC(1-hexyl-5-pyridin-3-yltriazol-4-yl)methanol
SMILESCCCCCCn1nnc(CO)c1-c1cccnc1
InChIInChI=1S/C14H20N4O/c1-2-3-4-5-9-18-14(13(11-19)16-17-18)12-7-6-8-15-10-12/h6-8,10,19H,2-5,9,11H2,1H3
InChIKeyLRIOXQTZWMTLRJ-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.41
Rot. Bonds7

About (1-hexyl-5-pyridin-3-yltriazol-4-yl)methanol

(1-hexyl-5-pyridin-3-yltriazol-4-yl)methanol (PubChem CID 82206041) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is (1-hexyl-5-pyridin-3-yltriazol-4-yl)methanol.

Molecular Properties

Compound Name(1-hexyl-5-pyridin-3-yltriazol-4-yl)methanol
PubChem CID82206041
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC Name(1-hexyl-5-pyridin-3-yltriazol-4-yl)methanol
SMILESCCCCCCn1nnc(CO)c1-c1cccnc1
InChIInChI=1S/C14H20N4O/c1-2-3-4-5-9-18-14(13(11-19)16-17-18)12-7-6-8-15-10-12/h6-8,10,19H,2-5,9,11H2,1H3
InChIKeyLRIOXQTZWMTLRJ-UHFFFAOYSA-N
XLogP2.41
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[1-heptyl-5-(3-methylphenyl)triazol-4-yl]methanol
CID 82208036
[5-(4-methylphenyl)-1-pentyltriazol-4-yl]methanol
CID 82205678
[5-(4-fluorophenyl)-1-heptyltriazol-4-yl]methanol
CID 82208048
[1-(2-methylpropyl)-5-pyridin-3-yltriazol-4-yl]methanol
CID 82208683
[5-(3,4-dimethylphenyl)-1-heptyltriazol-4-yl]methanol
CID 82208060
[5-(4-tert-butylphenyl)-1-pentyltriazol-4-yl]methanol
CID 82205705
[1-[(4-methylphenyl)methyl]-5-pyridin-3-yltriazol-4-yl]methanol
CID 82203247
[1-heptyl-5-(2-methoxyphenyl)triazol-4-yl]methanol
CID 82208051
(1-octyl-5-phenyltriazol-4-yl)methanamine
CID 126566340
[5-(2-chlorophenyl)-1-pentyltriazol-4-yl]methanol
CID 82205745
[1-butyl-5-(3,4-dichlorophenyl)triazol-4-yl]methanol
CID 82205346
[1-[(3-fluorophenyl)methyl]-5-pyridin-3-yltriazol-4-yl]methanol
CID 82211803

Frequently Asked Questions

What is the IUPAC name of (1-hexyl-5-pyridin-3-yltriazol-4-yl)methanol?
The IUPAC name of (1-hexyl-5-pyridin-3-yltriazol-4-yl)methanol (CID 82206041) is (1-hexyl-5-pyridin-3-yltriazol-4-yl)methanol.
What is the SMILES notation for (1-hexyl-5-pyridin-3-yltriazol-4-yl)methanol?
The canonical SMILES for (1-hexyl-5-pyridin-3-yltriazol-4-yl)methanol is CCCCCCn1nnc(CO)c1-c1cccnc1.
What is the InChIKey of (1-hexyl-5-pyridin-3-yltriazol-4-yl)methanol?
The InChIKey is LRIOXQTZWMTLRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c1-2-3-4-5-9-18-14(13(11-19)16-17-18)12-7-6-8-15-10-12/h6-8,10,19H,2-5,9,11H2,1H3.
What are the key properties of (1-hexyl-5-pyridin-3-yltriazol-4-yl)methanol?
(1-hexyl-5-pyridin-3-yltriazol-4-yl)methanol has a molecular weight of 260.34 g/mol, XLogP of 2.41, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-hexyl-5-pyridin-3-yltriazol-4-yl)methanol is sourced from PubChem (CID 82206041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).