2-[4-[[(4-aminocyclohexyl)amino]methyl]triazol-1-yl]ethanol

C11H21N5O — CID 66268121

IUPAC2-[4-[[(4-aminocyclohexyl)amino]methyl]triazol-1-yl]ethanol
SMILESNC1CCC(NCc2cn(CCO)nn2)CC1
InChIInChI=1S/C11H21N5O/c12-9-1-3-10(4-2-9)13-7-11-8-16(5-6-17)15-14-11/h8-10,13,17H,1-7,12H2
InChIKeyXNGJINKPJAZWGF-UHFFFAOYSA-N
MW239.32 g/mol
LogP-0.37
Rot. Bonds5

About 2-[4-[[(4-aminocyclohexyl)amino]methyl]triazol-1-yl]ethanol

2-[4-[[(4-aminocyclohexyl)amino]methyl]triazol-1-yl]ethanol (PubChem CID 66268121) has the molecular formula C11H21N5O and a molecular weight of 239.32 g/mol. Its IUPAC name is 2-[4-[[(4-aminocyclohexyl)amino]methyl]triazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[[(4-aminocyclohexyl)amino]methyl]triazol-1-yl]ethanol
PubChem CID66268121
Molecular FormulaC11H21N5O
Molecular Weight239.32 g/mol
Exact Mass239.17
IUPAC Name2-[4-[[(4-aminocyclohexyl)amino]methyl]triazol-1-yl]ethanol
SMILESNC1CCC(NCc2cn(CCO)nn2)CC1
InChIInChI=1S/C11H21N5O/c12-9-1-3-10(4-2-9)13-7-11-8-16(5-6-17)15-14-11/h8-10,13,17H,1-7,12H2
InChIKeyXNGJINKPJAZWGF-UHFFFAOYSA-N
XLogP-0.37
TPSA88.99 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 5-0.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-[[(1-propylpiperidin-4-yl)amino]methyl]triazol-1-yl]ethanol
CID 66269974
2-[4-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]piperidin-1-yl]-N-methylacetamide
CID 66269796
2-[4-[[(3-ethoxycyclobutyl)amino]methyl]triazol-1-yl]ethanol
CID 114118855
3-[4-[[(1,1-dioxothian-4-yl)amino]methyl]triazol-1-yl]propan-1-ol
CID 66268350
N-[(1-octyltriazol-4-yl)methyl]cyclopropanamine
CID 66193005
2-[4-[(1-azabicyclo[2.2.2]octan-3-ylamino)methyl]triazol-1-yl]ethanol
CID 66268448
3-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]-1-methylpyrrolidin-2-one
CID 106253571
2-[4-[[(1-methylpyrrolidin-3-yl)methylamino]methyl]triazol-1-yl]ethanol
CID 66269246
N-[[1-(3-methylsulfonylpropyl)triazol-4-yl]methyl]cyclopropanamine
CID 66192433
4-[4-[(cyclopropylamino)methyl]triazol-1-yl]-N,N-dimethylbutanamide
CID 66192832
3-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]-1-methylpiperidine-2,6-dione
CID 66269271
2-[4-[(1-cyclohexylethylamino)methyl]triazol-1-yl]ethanol
CID 66268500

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[(4-aminocyclohexyl)amino]methyl]triazol-1-yl]ethanol?
The IUPAC name of 2-[4-[[(4-aminocyclohexyl)amino]methyl]triazol-1-yl]ethanol (CID 66268121) is 2-[4-[[(4-aminocyclohexyl)amino]methyl]triazol-1-yl]ethanol.
What is the SMILES notation for 2-[4-[[(4-aminocyclohexyl)amino]methyl]triazol-1-yl]ethanol?
The canonical SMILES for 2-[4-[[(4-aminocyclohexyl)amino]methyl]triazol-1-yl]ethanol is NC1CCC(NCc2cn(CCO)nn2)CC1.
What is the InChIKey of 2-[4-[[(4-aminocyclohexyl)amino]methyl]triazol-1-yl]ethanol?
The InChIKey is XNGJINKPJAZWGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5O/c12-9-1-3-10(4-2-9)13-7-11-8-16(5-6-17)15-14-11/h8-10,13,17H,1-7,12H2.
What are the key properties of 2-[4-[[(4-aminocyclohexyl)amino]methyl]triazol-1-yl]ethanol?
2-[4-[[(4-aminocyclohexyl)amino]methyl]triazol-1-yl]ethanol has a molecular weight of 239.32 g/mol, XLogP of -0.37, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[(4-aminocyclohexyl)amino]methyl]triazol-1-yl]ethanol is sourced from PubChem (CID 66268121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).