2-[1-(1-methyl-3-propan-2-ylpyrazol-4-yl)triazol-4-yl]ethanol

C11H17N5O — CID 114262782

IUPAC2-[1-(1-methyl-3-propan-2-ylpyrazol-4-yl)triazol-4-yl]ethanol
SMILESCC(C)c1nn(C)cc1-n1cc(CCO)nn1
InChIInChI=1S/C11H17N5O/c1-8(2)11-10(7-15(3)13-11)16-6-9(4-5-17)12-14-16/h6-8,17H,4-5H2,1-3H3
InChIKeyLKMVLUNXPIGAIK-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.66
Rot. Bonds4

About 2-[1-(1-methyl-3-propan-2-ylpyrazol-4-yl)triazol-4-yl]ethanol

2-[1-(1-methyl-3-propan-2-ylpyrazol-4-yl)triazol-4-yl]ethanol (PubChem CID 114262782) has the molecular formula C11H17N5O and a molecular weight of 235.29 g/mol. Its IUPAC name is 2-[1-(1-methyl-3-propan-2-ylpyrazol-4-yl)triazol-4-yl]ethanol.

Molecular Properties

Compound Name2-[1-(1-methyl-3-propan-2-ylpyrazol-4-yl)triazol-4-yl]ethanol
PubChem CID114262782
Molecular FormulaC11H17N5O
Molecular Weight235.29 g/mol
Exact Mass235.14
IUPAC Name2-[1-(1-methyl-3-propan-2-ylpyrazol-4-yl)triazol-4-yl]ethanol
SMILESCC(C)c1nn(C)cc1-n1cc(CCO)nn1
InChIInChI=1S/C11H17N5O/c1-8(2)11-10(7-15(3)13-11)16-6-9(4-5-17)12-14-16/h6-8,17H,4-5H2,1-3H3
InChIKeyLKMVLUNXPIGAIK-UHFFFAOYSA-N
XLogP0.66
TPSA68.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[1-(2-propan-2-ylphenyl)triazol-4-yl]methanol
CID 62400894
1-[1-(3-ethyl-1-methylpyrazol-4-yl)triazol-4-yl]-N-methylmethanamine
CID 107464601
2-[1-(3-bromo-2-methylphenyl)triazol-4-yl]ethanol
CID 107627317
2-(1-phenyltriazol-4-yl)ethanol
CID 62400146
2-[1-(4-bromo-2,3-dichlorophenyl)triazol-4-yl]ethanol
CID 107794056
2-[1-(2,4-dibromo-5-methoxyphenyl)triazol-4-yl]ethanol
CID 103416839
2-[1-[2-(difluoromethoxy)phenyl]triazol-4-yl]ethanol
CID 62402019
N-[[1-(3-ethyl-1-methylpyrazol-4-yl)triazol-4-yl]methyl]-2-methylpropan-2-amine
CID 107465069
4-(1-chloropropyl)-1-(1,3-dimethylpyrazol-4-yl)triazole
CID 102807363
2-[1-[2-methyl-5-(trifluoromethyl)phenyl]triazol-4-yl]ethanol
CID 66476996
2-[1-(3,4-dimethylphenyl)triazol-4-yl]ethanol
CID 62399390
1-(1-methyl-3-propan-2-ylpyrazol-4-yl)-1,5-diazocane
CID 114263191

Frequently Asked Questions

What is the IUPAC name of 2-[1-(1-methyl-3-propan-2-ylpyrazol-4-yl)triazol-4-yl]ethanol?
The IUPAC name of 2-[1-(1-methyl-3-propan-2-ylpyrazol-4-yl)triazol-4-yl]ethanol (CID 114262782) is 2-[1-(1-methyl-3-propan-2-ylpyrazol-4-yl)triazol-4-yl]ethanol.
What is the SMILES notation for 2-[1-(1-methyl-3-propan-2-ylpyrazol-4-yl)triazol-4-yl]ethanol?
The canonical SMILES for 2-[1-(1-methyl-3-propan-2-ylpyrazol-4-yl)triazol-4-yl]ethanol is CC(C)c1nn(C)cc1-n1cc(CCO)nn1.
What is the InChIKey of 2-[1-(1-methyl-3-propan-2-ylpyrazol-4-yl)triazol-4-yl]ethanol?
The InChIKey is LKMVLUNXPIGAIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O/c1-8(2)11-10(7-15(3)13-11)16-6-9(4-5-17)12-14-16/h6-8,17H,4-5H2,1-3H3.
What are the key properties of 2-[1-(1-methyl-3-propan-2-ylpyrazol-4-yl)triazol-4-yl]ethanol?
2-[1-(1-methyl-3-propan-2-ylpyrazol-4-yl)triazol-4-yl]ethanol has a molecular weight of 235.29 g/mol, XLogP of 0.66, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1-methyl-3-propan-2-ylpyrazol-4-yl)triazol-4-yl]ethanol is sourced from PubChem (CID 114262782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).