2-[[(1S)-1-cyclohexylethyl]-[(5-methyl-4-propyl-1,2,4-triazol-3-yl)methyl]amino]ethanol

C17H32N4O — CID 100669946

IUPAC2-[[(1S)-1-cyclohexylethyl]-[(5-methyl-4-propyl-1,2,4-triazol-3-yl)methyl]amino]ethanol
SMILESCCCn1c(C)nnc1CN(CCO)[C@@H](C)C1CCCCC1
InChIInChI=1S/C17H32N4O/c1-4-10-21-15(3)18-19-17(21)13-20(11-12-22)14(2)16-8-6-5-7-9-16/h14,16,22H,4-13H2,1-3H3/t14-/m0/s1
InChIKeyRAVJTYYTWVECTO-AWEZNQCLSA-N
MW308.47 g/mol
LogP2.76
Rot. Bonds8

About 2-[[(1S)-1-cyclohexylethyl]-[(5-methyl-4-propyl-1,2,4-triazol-3-yl)methyl]amino]ethanol

2-[[(1S)-1-cyclohexylethyl]-[(5-methyl-4-propyl-1,2,4-triazol-3-yl)methyl]amino]ethanol (PubChem CID 100669946) has the molecular formula C17H32N4O and a molecular weight of 308.47 g/mol. Its IUPAC name is 2-[[(1S)-1-cyclohexylethyl]-[(5-methyl-4-propyl-1,2,4-triazol-3-yl)methyl]amino]ethanol.

Molecular Properties

Compound Name2-[[(1S)-1-cyclohexylethyl]-[(5-methyl-4-propyl-1,2,4-triazol-3-yl)methyl]amino]ethanol
PubChem CID100669946
Molecular FormulaC17H32N4O
Molecular Weight308.47 g/mol
Exact Mass308.26
IUPAC Name2-[[(1S)-1-cyclohexylethyl]-[(5-methyl-4-propyl-1,2,4-triazol-3-yl)methyl]amino]ethanol
SMILESCCCn1c(C)nnc1CN(CCO)[C@@H](C)C1CCCCC1
InChIInChI=1S/C17H32N4O/c1-4-10-21-15(3)18-19-17(21)13-20(11-12-22)14(2)16-8-6-5-7-9-16/h14,16,22H,4-13H2,1-3H3/t14-/m0/s1
InChIKeyRAVJTYYTWVECTO-AWEZNQCLSA-N
XLogP2.76
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.47
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[[(1S)-1-cyclohexylethyl]-[(5-methyl-4-propyl-1,2,4-triazol-3-yl)methyl]amino]ethanol with MolForge

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Related Compounds

2-[({5-[1-(2,2-dimethylpropyl)piperidin-4-yl]-4-methyl-4H-1,2,4-triazol-3-yl}methyl)(methyl)amino]ethanol
CID 70710980
2-[{[5-(1-cyclohexylpiperidin-4-yl)-4-methyl-4H-1,2,4-triazol-3-yl]methyl}(methyl)amino]ethanol
CID 70738024
2-(4-{4-methyl-5-[(4-methylpiperazin-1-yl)methyl]-4H-1,2,4-triazol-3-yl}piperidin-1-yl)propane-1,3-diol
CID 72857858
[4-Propan-2-yl-5-[3-(trifluoromethyl)cyclohexyl]-1,2,4-triazol-3-yl]methanol
CID 81934463
[4-Propan-2-yl-5-[4-(trifluoromethyl)cyclohexyl]-1,2,4-triazol-3-yl]methanol
CID 81934490
[5-(4,4-Difluorocyclohexyl)-4-propan-2-yl-1,2,4-triazol-3-yl]methanol
CID 81934511
[5-(4,4-Difluorocyclohexyl)-4-ethyl-1,2,4-triazol-3-yl]methanol
CID 81934737
[5-(4,4-Difluorocyclohexyl)-4-propyl-1,2,4-triazol-3-yl]methanol
CID 81934891
[5-(4,4-Difluorocyclohexyl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]methanol
CID 81935033
[4-Propan-2-yl-5-[2-(trifluoromethyl)cyclohexyl]-1,2,4-triazol-3-yl]methanol
CID 104622974
[5-(3,3-Difluorocyclohexyl)-4-propyl-1,2,4-triazol-3-yl]methanol
CID 114226804
[5-({1-[(1-isopropylpiperidin-4-yl)methyl]piperidin-4-yl}methyl)-4-methyl-4H-1,2,4-triazol-3-yl]methanol
CID 50973263

Frequently Asked Questions

What is the IUPAC name of 2-[[(1S)-1-cyclohexylethyl]-[(5-methyl-4-propyl-1,2,4-triazol-3-yl)methyl]amino]ethanol?
The IUPAC name of 2-[[(1S)-1-cyclohexylethyl]-[(5-methyl-4-propyl-1,2,4-triazol-3-yl)methyl]amino]ethanol (CID 100669946) is 2-[[(1S)-1-cyclohexylethyl]-[(5-methyl-4-propyl-1,2,4-triazol-3-yl)methyl]amino]ethanol.
What is the SMILES notation for 2-[[(1S)-1-cyclohexylethyl]-[(5-methyl-4-propyl-1,2,4-triazol-3-yl)methyl]amino]ethanol?
The canonical SMILES for 2-[[(1S)-1-cyclohexylethyl]-[(5-methyl-4-propyl-1,2,4-triazol-3-yl)methyl]amino]ethanol is CCCn1c(C)nnc1CN(CCO)[C@@H](C)C1CCCCC1.
What is the InChIKey of 2-[[(1S)-1-cyclohexylethyl]-[(5-methyl-4-propyl-1,2,4-triazol-3-yl)methyl]amino]ethanol?
The InChIKey is RAVJTYYTWVECTO-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H32N4O/c1-4-10-21-15(3)18-19-17(21)13-20(11-12-22)14(2)16-8-6-5-7-9-16/h14,16,22H,4-13H2,1-3H3/t14-/m0/s1.
What are the key properties of 2-[[(1S)-1-cyclohexylethyl]-[(5-methyl-4-propyl-1,2,4-triazol-3-yl)methyl]amino]ethanol?
2-[[(1S)-1-cyclohexylethyl]-[(5-methyl-4-propyl-1,2,4-triazol-3-yl)methyl]amino]ethanol has a molecular weight of 308.47 g/mol, XLogP of 2.76, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1S)-1-cyclohexylethyl]-[(5-methyl-4-propyl-1,2,4-triazol-3-yl)methyl]amino]ethanol is sourced from PubChem (CID 100669946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).