3-[4-[[1-(oxolan-2-yl)ethylamino]methyl]triazol-1-yl]propan-1-ol

C12H22N4O2 — CID 66269675

IUPAC3-[4-[[1-(oxolan-2-yl)ethylamino]methyl]triazol-1-yl]propan-1-ol
SMILESCC(NCc1cn(CCCO)nn1)C1CCCO1
InChIInChI=1S/C12H22N4O2/c1-10(12-4-2-7-18-12)13-8-11-9-16(15-14-11)5-3-6-17/h9-10,12-13,17H,2-8H2,1H3
InChIKeyPNNWNMYUEWVSCB-UHFFFAOYSA-N
MW254.33 g/mol
LogP0.32
Rot. Bonds7

About 3-[4-[[1-(oxolan-2-yl)ethylamino]methyl]triazol-1-yl]propan-1-ol

3-[4-[[1-(oxolan-2-yl)ethylamino]methyl]triazol-1-yl]propan-1-ol (PubChem CID 66269675) has the molecular formula C12H22N4O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is 3-[4-[[1-(oxolan-2-yl)ethylamino]methyl]triazol-1-yl]propan-1-ol.

Molecular Properties

Compound Name3-[4-[[1-(oxolan-2-yl)ethylamino]methyl]triazol-1-yl]propan-1-ol
PubChem CID66269675
Molecular FormulaC12H22N4O2
Molecular Weight254.33 g/mol
Exact Mass254.17
IUPAC Name3-[4-[[1-(oxolan-2-yl)ethylamino]methyl]triazol-1-yl]propan-1-ol
SMILESCC(NCc1cn(CCCO)nn1)C1CCCO1
InChIInChI=1S/C12H22N4O2/c1-10(12-4-2-7-18-12)13-8-11-9-16(15-14-11)5-3-6-17/h9-10,12-13,17H,2-8H2,1H3
InChIKeyPNNWNMYUEWVSCB-UHFFFAOYSA-N
XLogP0.32
TPSA72.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[1-(3-hydroxypropyl)triazol-4-yl]methylamino]propan-1-ol
CID 66269866
3-[4-[(4-methylpentan-2-ylamino)methyl]triazol-1-yl]propan-1-ol
CID 66269304
3-[4-[(cyclobutylmethylamino)methyl]triazol-1-yl]propan-1-ol
CID 66268921
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-propan-2-ylacetamide
CID 66270629
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-[[[(1R)-1-pyridin-4-ylethyl]amino]methyl]triazol-1-yl]propan-1-ol
CID 81405616
2-[1-[3-(oxolan-2-yl)propyl]triazol-4-yl]ethanol
CID 65166430
3-[4-[[[(1S)-1-(4-fluorophenyl)ethyl]amino]methyl]triazol-1-yl]propan-1-ol
CID 81348534
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

Frequently Asked Questions

What is the IUPAC name of 3-[4-[[1-(oxolan-2-yl)ethylamino]methyl]triazol-1-yl]propan-1-ol?
The IUPAC name of 3-[4-[[1-(oxolan-2-yl)ethylamino]methyl]triazol-1-yl]propan-1-ol (CID 66269675) is 3-[4-[[1-(oxolan-2-yl)ethylamino]methyl]triazol-1-yl]propan-1-ol.
What is the SMILES notation for 3-[4-[[1-(oxolan-2-yl)ethylamino]methyl]triazol-1-yl]propan-1-ol?
The canonical SMILES for 3-[4-[[1-(oxolan-2-yl)ethylamino]methyl]triazol-1-yl]propan-1-ol is CC(NCc1cn(CCCO)nn1)C1CCCO1.
What is the InChIKey of 3-[4-[[1-(oxolan-2-yl)ethylamino]methyl]triazol-1-yl]propan-1-ol?
The InChIKey is PNNWNMYUEWVSCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2/c1-10(12-4-2-7-18-12)13-8-11-9-16(15-14-11)5-3-6-17/h9-10,12-13,17H,2-8H2,1H3.
What are the key properties of 3-[4-[[1-(oxolan-2-yl)ethylamino]methyl]triazol-1-yl]propan-1-ol?
3-[4-[[1-(oxolan-2-yl)ethylamino]methyl]triazol-1-yl]propan-1-ol has a molecular weight of 254.33 g/mol, XLogP of 0.32, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[[1-(oxolan-2-yl)ethylamino]methyl]triazol-1-yl]propan-1-ol is sourced from PubChem (CID 66269675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).