3-[4-[[1-(diethylamino)propan-2-ylamino]methyl]triazol-1-yl]propan-1-ol

C13H27N5O — CID 66269515

IUPAC3-[4-[[1-(diethylamino)propan-2-ylamino]methyl]triazol-1-yl]propan-1-ol
SMILESCCN(CC)CC(C)NCc1cn(CCCO)nn1
InChIInChI=1S/C13H27N5O/c1-4-17(5-2)10-12(3)14-9-13-11-18(16-15-13)7-6-8-19/h11-12,14,19H,4-10H2,1-3H3
InChIKeyMRYIZTIWELMCCD-UHFFFAOYSA-N
MW269.39 g/mol
LogP0.48
Rot. Bonds10

About 3-[4-[[1-(diethylamino)propan-2-ylamino]methyl]triazol-1-yl]propan-1-ol

3-[4-[[1-(diethylamino)propan-2-ylamino]methyl]triazol-1-yl]propan-1-ol (PubChem CID 66269515) has the molecular formula C13H27N5O and a molecular weight of 269.39 g/mol. Its IUPAC name is 3-[4-[[1-(diethylamino)propan-2-ylamino]methyl]triazol-1-yl]propan-1-ol.

Molecular Properties

Compound Name3-[4-[[1-(diethylamino)propan-2-ylamino]methyl]triazol-1-yl]propan-1-ol
PubChem CID66269515
Molecular FormulaC13H27N5O
Molecular Weight269.39 g/mol
Exact Mass269.22
IUPAC Name3-[4-[[1-(diethylamino)propan-2-ylamino]methyl]triazol-1-yl]propan-1-ol
SMILESCCN(CC)CC(C)NCc1cn(CCCO)nn1
InChIInChI=1S/C13H27N5O/c1-4-17(5-2)10-12(3)14-9-13-11-18(16-15-13)7-6-8-19/h11-12,14,19H,4-10H2,1-3H3
InChIKeyMRYIZTIWELMCCD-UHFFFAOYSA-N
XLogP0.48
TPSA66.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 50.48
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-[(octan-2-ylamino)methyl]triazol-1-yl]propan-1-ol
CID 66268933
N-ethyl-2-[[1-(3-hydroxypropyl)triazol-4-yl]methylamino]-N-methylpropanamide
CID 103107020
3-[4-[(1-imidazol-1-ylpropan-2-ylamino)methyl]triazol-1-yl]propan-1-ol
CID 66269880
2-[4-[(5-methylhexan-2-ylamino)methyl]triazol-1-yl]ethanol
CID 66268833
2-[4-[(octan-2-ylamino)methyl]triazol-1-yl]ethanol
CID 66269808
2-[[1-(3-hydroxypropyl)triazol-4-yl]methylamino]-N,N,4-trimethylpentanamide
CID 66268924
3-[4-[[[(1R)-1-pyridin-4-ylethyl]amino]methyl]triazol-1-yl]propan-1-ol
CID 81405616
2-[4-[(1-ethoxypropan-2-ylamino)methyl]triazol-1-yl]ethanol
CID 66268687
3-[4-[[[(1S)-1-(4-fluorophenyl)ethyl]amino]methyl]triazol-1-yl]propan-1-ol
CID 81348534
3-(4-ethyltriazol-1-yl)propan-1-ol
CID 115012060

Frequently Asked Questions

What is the IUPAC name of 3-[4-[[1-(diethylamino)propan-2-ylamino]methyl]triazol-1-yl]propan-1-ol?
The IUPAC name of 3-[4-[[1-(diethylamino)propan-2-ylamino]methyl]triazol-1-yl]propan-1-ol (CID 66269515) is 3-[4-[[1-(diethylamino)propan-2-ylamino]methyl]triazol-1-yl]propan-1-ol.
What is the SMILES notation for 3-[4-[[1-(diethylamino)propan-2-ylamino]methyl]triazol-1-yl]propan-1-ol?
The canonical SMILES for 3-[4-[[1-(diethylamino)propan-2-ylamino]methyl]triazol-1-yl]propan-1-ol is CCN(CC)CC(C)NCc1cn(CCCO)nn1.
What is the InChIKey of 3-[4-[[1-(diethylamino)propan-2-ylamino]methyl]triazol-1-yl]propan-1-ol?
The InChIKey is MRYIZTIWELMCCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N5O/c1-4-17(5-2)10-12(3)14-9-13-11-18(16-15-13)7-6-8-19/h11-12,14,19H,4-10H2,1-3H3.
What are the key properties of 3-[4-[[1-(diethylamino)propan-2-ylamino]methyl]triazol-1-yl]propan-1-ol?
3-[4-[[1-(diethylamino)propan-2-ylamino]methyl]triazol-1-yl]propan-1-ol has a molecular weight of 269.39 g/mol, XLogP of 0.48, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[[1-(diethylamino)propan-2-ylamino]methyl]triazol-1-yl]propan-1-ol is sourced from PubChem (CID 66269515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).