2-[4-[(5-methylhexan-2-ylamino)methyl]triazol-1-yl]ethanol

C12H24N4O — CID 66268833

IUPAC2-[4-[(5-methylhexan-2-ylamino)methyl]triazol-1-yl]ethanol
SMILESCC(C)CCC(C)NCc1cn(CCO)nn1
InChIInChI=1S/C12H24N4O/c1-10(2)4-5-11(3)13-8-12-9-16(6-7-17)15-14-12/h9-11,13,17H,4-8H2,1-3H3
InChIKeyYKYNADJXVNVVQV-UHFFFAOYSA-N
MW240.35 g/mol
LogP1.18
Rot. Bonds8

About 2-[4-[(5-methylhexan-2-ylamino)methyl]triazol-1-yl]ethanol

2-[4-[(5-methylhexan-2-ylamino)methyl]triazol-1-yl]ethanol (PubChem CID 66268833) has the molecular formula C12H24N4O and a molecular weight of 240.35 g/mol. Its IUPAC name is 2-[4-[(5-methylhexan-2-ylamino)methyl]triazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[(5-methylhexan-2-ylamino)methyl]triazol-1-yl]ethanol
PubChem CID66268833
Molecular FormulaC12H24N4O
Molecular Weight240.35 g/mol
Exact Mass240.20
IUPAC Name2-[4-[(5-methylhexan-2-ylamino)methyl]triazol-1-yl]ethanol
SMILESCC(C)CCC(C)NCc1cn(CCO)nn1
InChIInChI=1S/C12H24N4O/c1-10(2)4-5-11(3)13-8-12-9-16(6-7-17)15-14-12/h9-11,13,17H,4-8H2,1-3H3
InChIKeyYKYNADJXVNVVQV-UHFFFAOYSA-N
XLogP1.18
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[(octan-2-ylamino)methyl]triazol-1-yl]ethanol
CID 66269808
3-[4-[(4-methylpentan-2-ylamino)methyl]triazol-1-yl]propan-1-ol
CID 66269304
2-[4-[(1-ethoxypropan-2-ylamino)methyl]triazol-1-yl]ethanol
CID 66268687
2-[[1-(3-hydroxypropyl)triazol-4-yl]methylamino]propan-1-ol
CID 66269866
3-[4-[(octan-2-ylamino)methyl]triazol-1-yl]propan-1-ol
CID 66268933
2-[4-[(7-methyloctylamino)methyl]triazol-1-yl]ethanol
CID 66270359
2-[4-[[1-(5-methylthiophen-2-yl)propan-2-ylamino]methyl]triazol-1-yl]ethanol
CID 66268505
2-[4-[[[(1S)-1-phenylethyl]amino]methyl]triazol-1-yl]ethanol
CID 81351583
3-[4-[[1-(diethylamino)propan-2-ylamino]methyl]triazol-1-yl]propan-1-ol
CID 66269515
4-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]butan-2-ol
CID 66269646
2-[4-[[1-(4-methylphenyl)ethylamino]methyl]triazol-1-yl]ethanol
CID 66268295
2-[4-[(1-cyclohexylethylamino)methyl]triazol-1-yl]ethanol
CID 66268500

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(5-methylhexan-2-ylamino)methyl]triazol-1-yl]ethanol?
The IUPAC name of 2-[4-[(5-methylhexan-2-ylamino)methyl]triazol-1-yl]ethanol (CID 66268833) is 2-[4-[(5-methylhexan-2-ylamino)methyl]triazol-1-yl]ethanol.
What is the SMILES notation for 2-[4-[(5-methylhexan-2-ylamino)methyl]triazol-1-yl]ethanol?
The canonical SMILES for 2-[4-[(5-methylhexan-2-ylamino)methyl]triazol-1-yl]ethanol is CC(C)CCC(C)NCc1cn(CCO)nn1.
What is the InChIKey of 2-[4-[(5-methylhexan-2-ylamino)methyl]triazol-1-yl]ethanol?
The InChIKey is YKYNADJXVNVVQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4O/c1-10(2)4-5-11(3)13-8-12-9-16(6-7-17)15-14-12/h9-11,13,17H,4-8H2,1-3H3.
What are the key properties of 2-[4-[(5-methylhexan-2-ylamino)methyl]triazol-1-yl]ethanol?
2-[4-[(5-methylhexan-2-ylamino)methyl]triazol-1-yl]ethanol has a molecular weight of 240.35 g/mol, XLogP of 1.18, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(5-methylhexan-2-ylamino)methyl]triazol-1-yl]ethanol is sourced from PubChem (CID 66268833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).