3-[4-[[bis[[1-(3-hydroxypropyl)triazol-4-yl]methyl]amino]methyl]triazol-1-yl]propan-1-ol

C18H30N10O3 — CID 85325313

IUPAC3-[4-[[bis[[1-(3-hydroxypropyl)triazol-4-yl]methyl]amino]methyl]triazol-1-yl]propan-1-ol
SMILESOCCCn1cc(CN(Cc2cn(CCCO)nn2)Cc2cn(CCCO)nn2)nn1
InChIInChI=1S/C18H30N10O3/c29-7-1-4-26-13-16(19-22-26)10-25(11-17-14-27(23-20-17)5-2-8-30)12-18-15-28(24-21-18)6-3-9-31/h13-15,29-31H,1-12H2
InChIKeyVAKXPQHQQNOUEZ-UHFFFAOYSA-N
MW434.51 g/mol
LogP-1.19
Rot. Bonds15

About 3-[4-[[bis[[1-(3-hydroxypropyl)triazol-4-yl]methyl]amino]methyl]triazol-1-yl]propan-1-ol

3-[4-[[bis[[1-(3-hydroxypropyl)triazol-4-yl]methyl]amino]methyl]triazol-1-yl]propan-1-ol (PubChem CID 85325313) has the molecular formula C18H30N10O3 and a molecular weight of 434.51 g/mol. Its IUPAC name is 3-[4-[[bis[[1-(3-hydroxypropyl)triazol-4-yl]methyl]amino]methyl]triazol-1-yl]propan-1-ol.

Molecular Properties

Compound Name3-[4-[[bis[[1-(3-hydroxypropyl)triazol-4-yl]methyl]amino]methyl]triazol-1-yl]propan-1-ol
PubChem CID85325313
Molecular FormulaC18H30N10O3
Molecular Weight434.51 g/mol
Exact Mass434.25
IUPAC Name3-[4-[[bis[[1-(3-hydroxypropyl)triazol-4-yl]methyl]amino]methyl]triazol-1-yl]propan-1-ol
SMILESOCCCn1cc(CN(Cc2cn(CCCO)nn2)Cc2cn(CCCO)nn2)nn1
InChIInChI=1S/C18H30N10O3/c29-7-1-4-26-13-16(19-22-26)10-25(11-17-14-27(23-20-17)5-2-8-30)12-18-15-28(24-21-18)6-3-9-31/h13-15,29-31H,1-12H2
InChIKeyVAKXPQHQQNOUEZ-UHFFFAOYSA-N
XLogP-1.19
TPSA156.06 Ų
H-Bond Donors3
H-Bond Acceptors13
Rotatable Bonds15
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.51
LogP ≤ 5-1.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1013

Analyze 3-[4-[[bis[[1-(3-hydroxypropyl)triazol-4-yl]methyl]amino]methyl]triazol-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

2,2',2''-[nitrilotris(Methanediyl-1h-1,2,3-Triazole-4,1-Diyl)]triethanol
CID 85325312
Tris[(1-hydroxypropyl-1h-1,2,3-triazol-4-yl)methyl]amine
CID 66749344
1-(1-butyltriazol-4-yl)-N,N-bis[(1-butyltriazol-4-yl)methyl]methanamine
CID 68944462
3-(4-((Bis((1-(tert-butyl)-1H-1,2,3-triazol-4-yl)methyl)amino)methyl)-1H-1,2,3-triazol-1-yl)propyl hydrogen sulfate
CID 87133748
1H-1,2,3-Triazole-1-ethanol, 4-((bis((1-(1,1-dimethylethyl)-1H-1,2,3-triazol-4-yl)methyl)amino)methyl)-, 1-(hydrogen sulfate)
CID 89884691
3-(4-((Bis((1-(tert-butyl)-1H-1,2,3-triazol-4-yl)methyl)amino)methyl)-1H-1,2,3-triazol-1-yl)propan-1-ol
CID 89891156
1,4,5,6,9,12,13,14,19,20,21-Undecazapentacyclo[7.7.7.13,6.112,15.118,21]hexacosa-3(26),4,13,15(25),18(24),19-hexaene
CID 134974949
2-[4-[(dimethylamino)methyl]triazol-1-yl]-N,N-bis[2-[4-[(dimethylamino)methyl]triazol-1-yl]ethyl]ethanamine
CID 139251714
1-(1-propan-2-yltriazol-4-yl)-N,N-bis[(1-propan-2-yltriazol-4-yl)methyl]methanamine
CID 154720823
2,2-Bis[[4-[[bis[(1-tert-butyltriazol-4-yl)methyl]amino]methyl]triazol-1-yl]methyl]propane-1,3-diol
CID 56655927
2,2-Bis[[4-[[bis[[1-(2-hydroxyethyl)triazol-4-yl]methyl]amino]methyl]triazol-1-yl]methyl]propane-1,3-diol
CID 56655928
3-[4-[[Bis[(1-tert-butyltriazol-4-yl)methyl]amino]methyl]triazol-1-yl]propanoic acid
CID 56656007

Frequently Asked Questions

What is the IUPAC name of 3-[4-[[bis[[1-(3-hydroxypropyl)triazol-4-yl]methyl]amino]methyl]triazol-1-yl]propan-1-ol?
The IUPAC name of 3-[4-[[bis[[1-(3-hydroxypropyl)triazol-4-yl]methyl]amino]methyl]triazol-1-yl]propan-1-ol (CID 85325313) is 3-[4-[[bis[[1-(3-hydroxypropyl)triazol-4-yl]methyl]amino]methyl]triazol-1-yl]propan-1-ol.
What is the SMILES notation for 3-[4-[[bis[[1-(3-hydroxypropyl)triazol-4-yl]methyl]amino]methyl]triazol-1-yl]propan-1-ol?
The canonical SMILES for 3-[4-[[bis[[1-(3-hydroxypropyl)triazol-4-yl]methyl]amino]methyl]triazol-1-yl]propan-1-ol is OCCCn1cc(CN(Cc2cn(CCCO)nn2)Cc2cn(CCCO)nn2)nn1.
What is the InChIKey of 3-[4-[[bis[[1-(3-hydroxypropyl)triazol-4-yl]methyl]amino]methyl]triazol-1-yl]propan-1-ol?
The InChIKey is VAKXPQHQQNOUEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N10O3/c29-7-1-4-26-13-16(19-22-26)10-25(11-17-14-27(23-20-17)5-2-8-30)12-18-15-28(24-21-18)6-3-9-31/h13-15,29-31H,1-12H2.
What are the key properties of 3-[4-[[bis[[1-(3-hydroxypropyl)triazol-4-yl]methyl]amino]methyl]triazol-1-yl]propan-1-ol?
3-[4-[[bis[[1-(3-hydroxypropyl)triazol-4-yl]methyl]amino]methyl]triazol-1-yl]propan-1-ol has a molecular weight of 434.51 g/mol, XLogP of -1.19, 15 rotatable bonds, 3 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[[bis[[1-(3-hydroxypropyl)triazol-4-yl]methyl]amino]methyl]triazol-1-yl]propan-1-ol is sourced from PubChem (CID 85325313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).