2-[3-methyl-5-[(1S)-1-(2-propan-2-ylimidazol-1-yl)ethyl]-1,2,4-triazol-1-yl]ethanol

C13H21N5O — CID 97453307

IUPAC2-[3-methyl-5-[(1S)-1-(2-propan-2-ylimidazol-1-yl)ethyl]-1,2,4-triazol-1-yl]ethanol
SMILESCc1nc([C@H](C)n2ccnc2C(C)C)n(CCO)n1
InChIInChI=1S/C13H21N5O/c1-9(2)12-14-5-6-17(12)10(3)13-15-11(4)16-18(13)7-8-19/h5-6,9-10,19H,7-8H2,1-4H3/t10-/m0/s1
InChIKeyNEDTZYZISKASNP-JTQLQIEISA-N
MW263.34 g/mol
LogP1.51
Rot. Bonds5

About 2-[3-methyl-5-[(1S)-1-(2-propan-2-ylimidazol-1-yl)ethyl]-1,2,4-triazol-1-yl]ethanol

2-[3-methyl-5-[(1S)-1-(2-propan-2-ylimidazol-1-yl)ethyl]-1,2,4-triazol-1-yl]ethanol (PubChem CID 97453307) has the molecular formula C13H21N5O and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-[3-methyl-5-[(1S)-1-(2-propan-2-ylimidazol-1-yl)ethyl]-1,2,4-triazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[3-methyl-5-[(1S)-1-(2-propan-2-ylimidazol-1-yl)ethyl]-1,2,4-triazol-1-yl]ethanol
PubChem CID97453307
Molecular FormulaC13H21N5O
Molecular Weight263.34 g/mol
Exact Mass263.17
IUPAC Name2-[3-methyl-5-[(1S)-1-(2-propan-2-ylimidazol-1-yl)ethyl]-1,2,4-triazol-1-yl]ethanol
SMILESCc1nc([C@H](C)n2ccnc2C(C)C)n(CCO)n1
InChIInChI=1S/C13H21N5O/c1-9(2)12-14-5-6-17(12)10(3)13-15-11(4)16-18(13)7-8-19/h5-6,9-10,19H,7-8H2,1-4H3/t10-/m0/s1
InChIKeyNEDTZYZISKASNP-JTQLQIEISA-N
XLogP1.51
TPSA68.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[3-methyl-5-[(1S)-1-(2-propan-2-ylimidazol-1-yl)ethyl]-1,2,4-triazol-1-yl]ethanol with MolForge

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Related Compounds

2-{4-[4-cyclopropyl-5-(1H-imidazol-1-ylmethyl)-4H-1,2,4-triazol-3-yl]piperidin-1-yl}propane-1,3-diol
CID 72881974
cis-3-[5-[(2-ethyl-1H-imidazol-1-yl)methyl]-4-(2-methoxyethyl)-4H-1,2,4-triazol-3-yl]cyclobutanamine
CID 91768330
1-tert-butyl-5-[2-(2-ethyl-1H-imidazol-1-yl)ethyl]-3-methyl-1H-1,2,4-triazole
CID 72927815
2-[[(1-methyl-1H-imidazol-2-yl)methyl](2-pyrrolidin-1-ylpropyl)amino]ethanol
CID 91830674
1-butyl-5-[(1S)-1-(2-methylimidazol-1-yl)ethyl]-3-(2-methylpropyl)-1,2,4-triazole
CID 97452482
1-butyl-5-[(2S)-2-(2-methylimidazol-1-yl)propyl]-1,2,4-triazole
CID 164639919
2-(2-isopropyl-1H-imidazol-1-yl)-N-[(4-isopropyl-4H-1,2,4-triazol-3-yl)methyl]-N-methylpropanamide
CID 50967017
1-[2-(2-isopropyl-1H-imidazol-1-yl)propyl]-1H-1,2,4-triazole
CID 56864006
3-[1-(2-cyclopropyl-1H-imidazol-1-yl)ethyl]-4-(2-methoxyethyl)-4H-1,2,4-triazole
CID 56900240
2-[(3,5-Dimethyl-1,2,4-triazol-1-yl)methyl]-4-[(1-methylimidazol-2-yl)methyl]morpholine
CID 71878566
4-(4-{4-methyl-5-[(2-methyl-1H-imidazol-1-yl)methyl]-4H-1,2,4-triazol-3-yl}piperidin-1-yl)butan-1-ol
CID 72850986
2-[2-[[[1-(2-Hydroxyethyl)imidazol-2-yl]methyl-propan-2-ylamino]methyl]imidazol-1-yl]ethanol
CID 57773601

Frequently Asked Questions

What is the IUPAC name of 2-[3-methyl-5-[(1S)-1-(2-propan-2-ylimidazol-1-yl)ethyl]-1,2,4-triazol-1-yl]ethanol?
The IUPAC name of 2-[3-methyl-5-[(1S)-1-(2-propan-2-ylimidazol-1-yl)ethyl]-1,2,4-triazol-1-yl]ethanol (CID 97453307) is 2-[3-methyl-5-[(1S)-1-(2-propan-2-ylimidazol-1-yl)ethyl]-1,2,4-triazol-1-yl]ethanol.
What is the SMILES notation for 2-[3-methyl-5-[(1S)-1-(2-propan-2-ylimidazol-1-yl)ethyl]-1,2,4-triazol-1-yl]ethanol?
The canonical SMILES for 2-[3-methyl-5-[(1S)-1-(2-propan-2-ylimidazol-1-yl)ethyl]-1,2,4-triazol-1-yl]ethanol is Cc1nc([C@H](C)n2ccnc2C(C)C)n(CCO)n1.
What is the InChIKey of 2-[3-methyl-5-[(1S)-1-(2-propan-2-ylimidazol-1-yl)ethyl]-1,2,4-triazol-1-yl]ethanol?
The InChIKey is NEDTZYZISKASNP-JTQLQIEISA-N. The full InChI is InChI=1S/C13H21N5O/c1-9(2)12-14-5-6-17(12)10(3)13-15-11(4)16-18(13)7-8-19/h5-6,9-10,19H,7-8H2,1-4H3/t10-/m0/s1.
What are the key properties of 2-[3-methyl-5-[(1S)-1-(2-propan-2-ylimidazol-1-yl)ethyl]-1,2,4-triazol-1-yl]ethanol?
2-[3-methyl-5-[(1S)-1-(2-propan-2-ylimidazol-1-yl)ethyl]-1,2,4-triazol-1-yl]ethanol has a molecular weight of 263.34 g/mol, XLogP of 1.51, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-methyl-5-[(1S)-1-(2-propan-2-ylimidazol-1-yl)ethyl]-1,2,4-triazol-1-yl]ethanol is sourced from PubChem (CID 97453307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).