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

C12H24N4O2 — CID 66270878

IUPAC3-[4-[(1-methoxypentan-2-ylamino)methyl]triazol-1-yl]propan-1-ol
SMILESCCCC(COC)NCc1cn(CCCO)nn1
InChIInChI=1S/C12H24N4O2/c1-3-5-11(10-18-2)13-8-12-9-16(15-14-12)6-4-7-17/h9,11,13,17H,3-8,10H2,1-2H3
InChIKeyWTJFUODYEKSYFY-UHFFFAOYSA-N
MW256.35 g/mol
LogP0.57
Rot. Bonds10

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

3-[4-[(1-methoxypentan-2-ylamino)methyl]triazol-1-yl]propan-1-ol (PubChem CID 66270878) has the molecular formula C12H24N4O2 and a molecular weight of 256.35 g/mol. Its IUPAC name is 3-[4-[(1-methoxypentan-2-ylamino)methyl]triazol-1-yl]propan-1-ol.

Molecular Properties

Compound Name3-[4-[(1-methoxypentan-2-ylamino)methyl]triazol-1-yl]propan-1-ol
PubChem CID66270878
Molecular FormulaC12H24N4O2
Molecular Weight256.35 g/mol
Exact Mass256.19
IUPAC Name3-[4-[(1-methoxypentan-2-ylamino)methyl]triazol-1-yl]propan-1-ol
SMILESCCCC(COC)NCc1cn(CCCO)nn1
InChIInChI=1S/C12H24N4O2/c1-3-5-11(10-18-2)13-8-12-9-16(15-14-12)6-4-7-17/h9,11,13,17H,3-8,10H2,1-2H3
InChIKeyWTJFUODYEKSYFY-UHFFFAOYSA-N
XLogP0.57
TPSA72.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-[4-[(octan-2-ylamino)methyl]triazol-1-yl]propan-1-ol
CID 66268933
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-[[[(1R)-1-(2-methoxyphenyl)ethyl]amino]methyl]triazol-1-yl]propan-1-ol
CID 81389472
3-[4-[[[(1S)-1-(4-methoxyphenyl)ethyl]amino]methyl]triazol-1-yl]propan-1-ol
CID 81367670
methyl 2-[[1-(3-hydroxypropyl)triazol-4-yl]methylamino]acetate
CID 66268145
3-[4-[[1-(diethylamino)propan-2-ylamino]methyl]triazol-1-yl]propan-1-ol
CID 66269515
3-[4-[(2-propan-2-yloxyethylamino)methyl]triazol-1-yl]propan-1-ol
CID 104759251
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
3-[4-[(hexylamino)methyl]triazol-1-yl]propan-1-ol
CID 66270242
2-[4-[(octan-2-ylamino)methyl]triazol-1-yl]ethanol
CID 66269808

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(1-methoxypentan-2-ylamino)methyl]triazol-1-yl]propan-1-ol?
The IUPAC name of 3-[4-[(1-methoxypentan-2-ylamino)methyl]triazol-1-yl]propan-1-ol (CID 66270878) is 3-[4-[(1-methoxypentan-2-ylamino)methyl]triazol-1-yl]propan-1-ol.
What is the SMILES notation for 3-[4-[(1-methoxypentan-2-ylamino)methyl]triazol-1-yl]propan-1-ol?
The canonical SMILES for 3-[4-[(1-methoxypentan-2-ylamino)methyl]triazol-1-yl]propan-1-ol is CCCC(COC)NCc1cn(CCCO)nn1.
What is the InChIKey of 3-[4-[(1-methoxypentan-2-ylamino)methyl]triazol-1-yl]propan-1-ol?
The InChIKey is WTJFUODYEKSYFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4O2/c1-3-5-11(10-18-2)13-8-12-9-16(15-14-12)6-4-7-17/h9,11,13,17H,3-8,10H2,1-2H3.
What are the key properties of 3-[4-[(1-methoxypentan-2-ylamino)methyl]triazol-1-yl]propan-1-ol?
3-[4-[(1-methoxypentan-2-ylamino)methyl]triazol-1-yl]propan-1-ol has a molecular weight of 256.35 g/mol, XLogP of 0.57, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(1-methoxypentan-2-ylamino)methyl]triazol-1-yl]propan-1-ol is sourced from PubChem (CID 66270878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).