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

C9H18N4O2 — CID 66269866

IUPAC2-[[1-(3-hydroxypropyl)triazol-4-yl]methylamino]propan-1-ol
SMILESCC(CO)NCc1cn(CCCO)nn1
InChIInChI=1S/C9H18N4O2/c1-8(7-15)10-5-9-6-13(12-11-9)3-2-4-14/h6,8,10,14-15H,2-5,7H2,1H3
InChIKeyOMPCSRUJKNWMIZ-UHFFFAOYSA-N
MW214.27 g/mol
LogP-0.87
Rot. Bonds7

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

2-[[1-(3-hydroxypropyl)triazol-4-yl]methylamino]propan-1-ol (PubChem CID 66269866) has the molecular formula C9H18N4O2 and a molecular weight of 214.27 g/mol. Its IUPAC name is 2-[[1-(3-hydroxypropyl)triazol-4-yl]methylamino]propan-1-ol.

Molecular Properties

Compound Name2-[[1-(3-hydroxypropyl)triazol-4-yl]methylamino]propan-1-ol
PubChem CID66269866
Molecular FormulaC9H18N4O2
Molecular Weight214.27 g/mol
Exact Mass214.14
IUPAC Name2-[[1-(3-hydroxypropyl)triazol-4-yl]methylamino]propan-1-ol
SMILESCC(CO)NCc1cn(CCCO)nn1
InChIInChI=1S/C9H18N4O2/c1-8(7-15)10-5-9-6-13(12-11-9)3-2-4-14/h6,8,10,14-15H,2-5,7H2,1H3
InChIKeyOMPCSRUJKNWMIZ-UHFFFAOYSA-N
XLogP-0.87
TPSA83.20 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 5-0.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-[[1-(3-hydroxypropyl)triazol-4-yl]methylamino]propan-1-ol with MolForge

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Related Compounds

3-[4-[(4-methylpentan-2-ylamino)methyl]triazol-1-yl]propan-1-ol
CID 66269304
3-[4-[[1-(diethylamino)propan-2-ylamino]methyl]triazol-1-yl]propan-1-ol
CID 66269515
3-[4-[(octan-2-ylamino)methyl]triazol-1-yl]propan-1-ol
CID 66268933
3-[4-[(1-imidazol-1-ylpropan-2-ylamino)methyl]triazol-1-yl]propan-1-ol
CID 66269880
3-[4-[[[(1R)-1-pyridin-4-ylethyl]amino]methyl]triazol-1-yl]propan-1-ol
CID 81405616
2-[4-[(5-methylhexan-2-ylamino)methyl]triazol-1-yl]ethanol
CID 66268833
3-[4-[[[(1S)-1-(4-fluorophenyl)ethyl]amino]methyl]triazol-1-yl]propan-1-ol
CID 81348534
2-[4-[(octan-2-ylamino)methyl]triazol-1-yl]ethanol
CID 66269808
3-[4-[[1-(5-methylthiophen-2-yl)ethylamino]methyl]triazol-1-yl]propan-1-ol
CID 66269133
2-[[1-(3-hydroxypropyl)triazol-4-yl]methylamino]-N,N,4-trimethylpentanamide
CID 66268924
3-[4-[[[(1S)-1-(4-methoxyphenyl)ethyl]amino]methyl]triazol-1-yl]propan-1-ol
CID 81367670
2-[[1-(3-hydroxypropyl)triazol-4-yl]methylamino]-N-propan-2-ylacetamide
CID 66270629

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(3-hydroxypropyl)triazol-4-yl]methylamino]propan-1-ol?
The IUPAC name of 2-[[1-(3-hydroxypropyl)triazol-4-yl]methylamino]propan-1-ol (CID 66269866) is 2-[[1-(3-hydroxypropyl)triazol-4-yl]methylamino]propan-1-ol.
What is the SMILES notation for 2-[[1-(3-hydroxypropyl)triazol-4-yl]methylamino]propan-1-ol?
The canonical SMILES for 2-[[1-(3-hydroxypropyl)triazol-4-yl]methylamino]propan-1-ol is CC(CO)NCc1cn(CCCO)nn1.
What is the InChIKey of 2-[[1-(3-hydroxypropyl)triazol-4-yl]methylamino]propan-1-ol?
The InChIKey is OMPCSRUJKNWMIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4O2/c1-8(7-15)10-5-9-6-13(12-11-9)3-2-4-14/h6,8,10,14-15H,2-5,7H2,1H3.
What are the key properties of 2-[[1-(3-hydroxypropyl)triazol-4-yl]methylamino]propan-1-ol?
2-[[1-(3-hydroxypropyl)triazol-4-yl]methylamino]propan-1-ol has a molecular weight of 214.27 g/mol, XLogP of -0.87, 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]propan-1-ol is sourced from PubChem (CID 66269866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).