2-[[1-(3-hydroxypropyl)triazol-4-yl]methylamino]-2-methylpropan-1-ol

C10H20N4O2 — CID 66268917

IUPAC2-[[1-(3-hydroxypropyl)triazol-4-yl]methylamino]-2-methylpropan-1-ol
SMILESCC(C)(CO)NCc1cn(CCCO)nn1
InChIInChI=1S/C10H20N4O2/c1-10(2,8-16)11-6-9-7-14(13-12-9)4-3-5-15/h7,11,15-16H,3-6,8H2,1-2H3
InChIKeyVBHMJBIZFKASHT-UHFFFAOYSA-N
MW228.30 g/mol
LogP-0.48
Rot. Bonds7

About 2-[[1-(3-hydroxypropyl)triazol-4-yl]methylamino]-2-methylpropan-1-ol

2-[[1-(3-hydroxypropyl)triazol-4-yl]methylamino]-2-methylpropan-1-ol (PubChem CID 66268917) has the molecular formula C10H20N4O2 and a molecular weight of 228.30 g/mol. Its IUPAC name is 2-[[1-(3-hydroxypropyl)triazol-4-yl]methylamino]-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-[[1-(3-hydroxypropyl)triazol-4-yl]methylamino]-2-methylpropan-1-ol
PubChem CID66268917
Molecular FormulaC10H20N4O2
Molecular Weight228.30 g/mol
Exact Mass228.16
IUPAC Name2-[[1-(3-hydroxypropyl)triazol-4-yl]methylamino]-2-methylpropan-1-ol
SMILESCC(C)(CO)NCc1cn(CCCO)nn1
InChIInChI=1S/C10H20N4O2/c1-10(2,8-16)11-6-9-7-14(13-12-9)4-3-5-15/h7,11,15-16H,3-6,8H2,1-2H3
InChIKeyVBHMJBIZFKASHT-UHFFFAOYSA-N
XLogP-0.48
TPSA83.20 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 5-0.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-[[1-(3-hydroxypropyl)triazol-4-yl]methylamino]-2-methylpropan-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

6-[4-[(tert-butylamino)methyl]triazol-1-yl]hexan-1-ol
CID 107707372
3-[4-[(4-tert-butylanilino)methyl]triazol-1-yl]propan-1-ol
CID 66269664
3-[4-[(2,3,3-trimethylbutylamino)methyl]triazol-1-yl]propan-1-ol
CID 83143100
3-(4-ethyltriazol-1-yl)propan-1-ol
CID 115012060
2-[[1-(3-hydroxypropyl)triazol-4-yl]methylamino]propan-1-ol
CID 66269866
methyl 2-[[1-(3-hydroxypropyl)triazol-4-yl]methylamino]acetate
CID 66268145
3-[4-[(2-aminoethylamino)methyl]triazol-1-yl]propan-1-ol
CID 66268362
3-[4-[[(2,2,3,3-tetramethylcyclopropyl)amino]methyl]triazol-1-yl]propan-1-ol
CID 79358090
3-[4-[(4-methylpentan-2-ylamino)methyl]triazol-1-yl]propan-1-ol
CID 66269304
2-methyl-N-[(1-octyltriazol-4-yl)methyl]propan-2-amine
CID 66191679
2-[[1-(3-hydroxypropyl)triazol-4-yl]methylamino]-N-methylacetamide
CID 66269111
3-[4-[(hexylamino)methyl]triazol-1-yl]propan-1-ol
CID 66270242

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(3-hydroxypropyl)triazol-4-yl]methylamino]-2-methylpropan-1-ol?
The IUPAC name of 2-[[1-(3-hydroxypropyl)triazol-4-yl]methylamino]-2-methylpropan-1-ol (CID 66268917) is 2-[[1-(3-hydroxypropyl)triazol-4-yl]methylamino]-2-methylpropan-1-ol.
What is the SMILES notation for 2-[[1-(3-hydroxypropyl)triazol-4-yl]methylamino]-2-methylpropan-1-ol?
The canonical SMILES for 2-[[1-(3-hydroxypropyl)triazol-4-yl]methylamino]-2-methylpropan-1-ol is CC(C)(CO)NCc1cn(CCCO)nn1.
What is the InChIKey of 2-[[1-(3-hydroxypropyl)triazol-4-yl]methylamino]-2-methylpropan-1-ol?
The InChIKey is VBHMJBIZFKASHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4O2/c1-10(2,8-16)11-6-9-7-14(13-12-9)4-3-5-15/h7,11,15-16H,3-6,8H2,1-2H3.
What are the key properties of 2-[[1-(3-hydroxypropyl)triazol-4-yl]methylamino]-2-methylpropan-1-ol?
2-[[1-(3-hydroxypropyl)triazol-4-yl]methylamino]-2-methylpropan-1-ol has a molecular weight of 228.30 g/mol, XLogP of -0.48, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(3-hydroxypropyl)triazol-4-yl]methylamino]-2-methylpropan-1-ol is sourced from PubChem (CID 66268917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).