3-[3-(3-hydroxypropyl)-5-methyl-1,3,5-triazinan-1-yl]propan-1-ol

C10H23N3O2 — CID 139643715

IUPAC3-[3-(3-hydroxypropyl)-5-methyl-1,3,5-triazinan-1-yl]propan-1-ol
SMILESCN1CN(CCCO)CN(CCCO)C1
InChIInChI=1S/C10H23N3O2/c1-11-8-12(4-2-6-14)10-13(9-11)5-3-7-15/h14-15H,2-10H2,1H3
InChIKeyROTGPNBAWKULCB-UHFFFAOYSA-N
MW217.31 g/mol
LogP-0.83
Rot. Bonds6

About 3-[3-(3-hydroxypropyl)-5-methyl-1,3,5-triazinan-1-yl]propan-1-ol

3-[3-(3-hydroxypropyl)-5-methyl-1,3,5-triazinan-1-yl]propan-1-ol (PubChem CID 139643715) has the molecular formula C10H23N3O2 and a molecular weight of 217.31 g/mol. Its IUPAC name is 3-[3-(3-hydroxypropyl)-5-methyl-1,3,5-triazinan-1-yl]propan-1-ol.

Molecular Properties

Compound Name3-[3-(3-hydroxypropyl)-5-methyl-1,3,5-triazinan-1-yl]propan-1-ol
PubChem CID139643715
Molecular FormulaC10H23N3O2
Molecular Weight217.31 g/mol
Exact Mass217.18
IUPAC Name3-[3-(3-hydroxypropyl)-5-methyl-1,3,5-triazinan-1-yl]propan-1-ol
SMILESCN1CN(CCCO)CN(CCCO)C1
InChIInChI=1S/C10H23N3O2/c1-11-8-12(4-2-6-14)10-13(9-11)5-3-7-15/h14-15H,2-10H2,1H3
InChIKeyROTGPNBAWKULCB-UHFFFAOYSA-N
XLogP-0.83
TPSA50.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 5-0.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[3-(3-hydroxypropyl)-5-methyl-1,3,5-triazinan-1-yl]propan-1-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

1-butyl-3-methyl-1,3-diazetidine
CID 54539532
2-[3,5-bis[3-(dimethylamino)propyl]-1,3,5-triazinan-1-yl]ethanol
CID 57224817
10-(4-methylpiperazin-1-yl)decan-1-ol;12-(4-methylpiperazin-1-yl)dodecan-1-ol
CID 22218533
3-[4-(3-hydroxypropyl)-1,4-diazepan-1-yl]propan-1-ol;hydrobromide
CID 70500350
2-[2-[3-methyl-5-[2-(propylamino)ethyl]-1,3,5-triazinan-1-yl]ethylamino]ethanol
CID 58426265
3-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)propan-1-ol
CID 130708552
acetylene;3-piperidin-1-ylpropan-1-ol
CID 162683866
1,3,5-tri(hexacosyl)-1,3,5-triazinane
CID 175381685
3-piperazin-1-ylpropan-1-ol;dihydrochloride
CID 22460998
4-(3-methylazetidin-1-yl)butan-1-ol
CID 106844124
3-[10-(3-hydroxypropyl)-1,4,7,10-tetrazabicyclo[5.5.3]pentadecan-4-yl]propan-1-ol
CID 101041195
3-[(1R,5S)-6-tert-butyl-3-azabicyclo[3.1.0]hexan-3-yl]propan-1-ol
CID 121385798

Frequently Asked Questions

What is the IUPAC name of 3-[3-(3-hydroxypropyl)-5-methyl-1,3,5-triazinan-1-yl]propan-1-ol?
The IUPAC name of 3-[3-(3-hydroxypropyl)-5-methyl-1,3,5-triazinan-1-yl]propan-1-ol (CID 139643715) is 3-[3-(3-hydroxypropyl)-5-methyl-1,3,5-triazinan-1-yl]propan-1-ol.
What is the SMILES notation for 3-[3-(3-hydroxypropyl)-5-methyl-1,3,5-triazinan-1-yl]propan-1-ol?
The canonical SMILES for 3-[3-(3-hydroxypropyl)-5-methyl-1,3,5-triazinan-1-yl]propan-1-ol is CN1CN(CCCO)CN(CCCO)C1.
What is the InChIKey of 3-[3-(3-hydroxypropyl)-5-methyl-1,3,5-triazinan-1-yl]propan-1-ol?
The InChIKey is ROTGPNBAWKULCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N3O2/c1-11-8-12(4-2-6-14)10-13(9-11)5-3-7-15/h14-15H,2-10H2,1H3.
What are the key properties of 3-[3-(3-hydroxypropyl)-5-methyl-1,3,5-triazinan-1-yl]propan-1-ol?
3-[3-(3-hydroxypropyl)-5-methyl-1,3,5-triazinan-1-yl]propan-1-ol has a molecular weight of 217.31 g/mol, XLogP of -0.83, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(3-hydroxypropyl)-5-methyl-1,3,5-triazinan-1-yl]propan-1-ol is sourced from PubChem (CID 139643715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).