1-[4-(2-hydroxypentyl)-6-pentyl-1,3,5-triazin-2-yl]pentan-2-ol

C18H33N3O2 — CID 67042033

IUPAC1-[4-(2-hydroxypentyl)-6-pentyl-1,3,5-triazin-2-yl]pentan-2-ol
SMILESCCCCCc1nc(CC(O)CCC)nc(CC(O)CCC)n1
InChIInChI=1S/C18H33N3O2/c1-4-7-8-11-16-19-17(12-14(22)9-5-2)21-18(20-16)13-15(23)10-6-3/h14-15,22-23H,4-13H2,1-3H3
InChIKeyNKEADLMCQGSMHS-UHFFFAOYSA-N
MW323.48 g/mol
LogP3.01
Rot. Bonds12

About 1-[4-(2-hydroxypentyl)-6-pentyl-1,3,5-triazin-2-yl]pentan-2-ol

1-[4-(2-hydroxypentyl)-6-pentyl-1,3,5-triazin-2-yl]pentan-2-ol (PubChem CID 67042033) has the molecular formula C18H33N3O2 and a molecular weight of 323.48 g/mol. Its IUPAC name is 1-[4-(2-hydroxypentyl)-6-pentyl-1,3,5-triazin-2-yl]pentan-2-ol.

Molecular Properties

Compound Name1-[4-(2-hydroxypentyl)-6-pentyl-1,3,5-triazin-2-yl]pentan-2-ol
PubChem CID67042033
Molecular FormulaC18H33N3O2
Molecular Weight323.48 g/mol
Exact Mass323.26
IUPAC Name1-[4-(2-hydroxypentyl)-6-pentyl-1,3,5-triazin-2-yl]pentan-2-ol
SMILESCCCCCc1nc(CC(O)CCC)nc(CC(O)CCC)n1
InChIInChI=1S/C18H33N3O2/c1-4-7-8-11-16-19-17(12-14(22)9-5-2)21-18(20-16)13-15(23)10-6-3/h14-15,22-23H,4-13H2,1-3H3
InChIKeyNKEADLMCQGSMHS-UHFFFAOYSA-N
XLogP3.01
TPSA79.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.48
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-[4-(2-hydroxypentyl)-6-pentyl-1,3,5-triazin-2-yl]pentan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-butyl-4,6-di(nonyl)-1,3,5-triazine
CID 91505211
2-methyl-4,6-di(octacosyl)-1,3,5-triazine
CID 66935655
2-methyl-4,6-di(undecyl)-1,3,5-triazine
CID 66935894
2,4-dimethyl-6-pentyl-1,3,5-triazine
CID 15211759
1-(2-methyltetrazol-5-yl)octan-2-ol
CID 107046019
2,4-bis(chloromethyl)-6-pentyl-1,3,5-triazine
CID 69095431
2,4-dibutyl-6-propyl-1,3,5-triazine
CID 59908452
octacosan-4-ol
CID 54117167
(4S)-nonadecan-4-ol
CID 89325355
1-(3-ethyl-1,2,4-thiadiazol-5-yl)pentan-2-ol
CID 65280066
6-octadecyl-1,3,5-triazine-2,4-diamine
CID 154108733
2,4-dioctadecyl-1,3,5-triazine
CID 91537200

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-hydroxypentyl)-6-pentyl-1,3,5-triazin-2-yl]pentan-2-ol?
The IUPAC name of 1-[4-(2-hydroxypentyl)-6-pentyl-1,3,5-triazin-2-yl]pentan-2-ol (CID 67042033) is 1-[4-(2-hydroxypentyl)-6-pentyl-1,3,5-triazin-2-yl]pentan-2-ol.
What is the SMILES notation for 1-[4-(2-hydroxypentyl)-6-pentyl-1,3,5-triazin-2-yl]pentan-2-ol?
The canonical SMILES for 1-[4-(2-hydroxypentyl)-6-pentyl-1,3,5-triazin-2-yl]pentan-2-ol is CCCCCc1nc(CC(O)CCC)nc(CC(O)CCC)n1.
What is the InChIKey of 1-[4-(2-hydroxypentyl)-6-pentyl-1,3,5-triazin-2-yl]pentan-2-ol?
The InChIKey is NKEADLMCQGSMHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N3O2/c1-4-7-8-11-16-19-17(12-14(22)9-5-2)21-18(20-16)13-15(23)10-6-3/h14-15,22-23H,4-13H2,1-3H3.
What are the key properties of 1-[4-(2-hydroxypentyl)-6-pentyl-1,3,5-triazin-2-yl]pentan-2-ol?
1-[4-(2-hydroxypentyl)-6-pentyl-1,3,5-triazin-2-yl]pentan-2-ol has a molecular weight of 323.48 g/mol, XLogP of 3.01, 12 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-hydroxypentyl)-6-pentyl-1,3,5-triazin-2-yl]pentan-2-ol is sourced from PubChem (CID 67042033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).