1-[3-bromo-5-(2-cyclopropylethyl)-1,2,4-triazol-1-yl]-2-methylpropan-2-ol

C11H18BrN3O — CID 160915947

IUPAC1-[3-bromo-5-(2-cyclopropylethyl)-1,2,4-triazol-1-yl]-2-methylpropan-2-ol
SMILESCC(C)(O)Cn1nc(Br)nc1CCC1CC1
InChIInChI=1S/C11H18BrN3O/c1-11(2,16)7-15-9(13-10(12)14-15)6-5-8-3-4-8/h8,16H,3-7H2,1-2H3
InChIKeySRKCLRJDGFPGKS-UHFFFAOYSA-N
MW288.19 g/mol
LogP2.15
Rot. Bonds5

About 1-[3-bromo-5-(2-cyclopropylethyl)-1,2,4-triazol-1-yl]-2-methylpropan-2-ol

1-[3-bromo-5-(2-cyclopropylethyl)-1,2,4-triazol-1-yl]-2-methylpropan-2-ol (PubChem CID 160915947) has the molecular formula C11H18BrN3O and a molecular weight of 288.19 g/mol. Its IUPAC name is 1-[3-bromo-5-(2-cyclopropylethyl)-1,2,4-triazol-1-yl]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[3-bromo-5-(2-cyclopropylethyl)-1,2,4-triazol-1-yl]-2-methylpropan-2-ol
PubChem CID160915947
Molecular FormulaC11H18BrN3O
Molecular Weight288.19 g/mol
Exact Mass287.06
IUPAC Name1-[3-bromo-5-(2-cyclopropylethyl)-1,2,4-triazol-1-yl]-2-methylpropan-2-ol
SMILESCC(C)(O)Cn1nc(Br)nc1CCC1CC1
InChIInChI=1S/C11H18BrN3O/c1-11(2,16)7-15-9(13-10(12)14-15)6-5-8-3-4-8/h8,16H,3-7H2,1-2H3
InChIKeySRKCLRJDGFPGKS-UHFFFAOYSA-N
XLogP2.15
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.19
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-5-(2-cyclopropylethyl)-1-methyl-1H-1,2,4-triazole
CID 152869768
1-(5-Bromo-2-ethyl-1,2,4-triazol-3-yl)cyclopentan-1-ol
CID 155480214
1-(3-Bromo-5-methyl-1H-1,2,4-triazol-1-YL)-2-methylpropan-2-OL
CID 156246667
2-(3-bromo-1-cyclopropyl-1H-1,2,4-triazol-5-yl)propan-2-ol
CID 156249599
3-Bromo-5-(2-cyclopropylethyl)-1-(2-methylpropyl)-1,2,4-triazole
CID 161400720
2-(2-Ethyl-5-propan-2-yl-1,2,4-triazol-3-yl)propan-2-ol
CID 163231929
1-[1,5-Di(propan-2-yl)-1,2,4-triazol-3-yl]cyclopropan-1-ol
CID 176773912
1-Amino-2-cyclopropyl-3-(3,5-dimethyl-1,2,4-triazol-1-yl)propan-2-ol
CID 64821650
1-[(3,5-Dimethyl-1,2,4-triazol-1-yl)methyl]cyclopentan-1-ol
CID 65212577
2-Cyclopropyl-1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]butan-2-ol
CID 65604535
2-Cyclopropyl-1-(2-ethyl-1,2,4-triazol-3-yl)butan-2-ol
CID 65604537
2-Cyclopropyl-1-(2-propyl-1,2,4-triazol-3-yl)butan-2-ol
CID 65604538

Frequently Asked Questions

What is the IUPAC name of 1-[3-bromo-5-(2-cyclopropylethyl)-1,2,4-triazol-1-yl]-2-methylpropan-2-ol?
The IUPAC name of 1-[3-bromo-5-(2-cyclopropylethyl)-1,2,4-triazol-1-yl]-2-methylpropan-2-ol (CID 160915947) is 1-[3-bromo-5-(2-cyclopropylethyl)-1,2,4-triazol-1-yl]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[3-bromo-5-(2-cyclopropylethyl)-1,2,4-triazol-1-yl]-2-methylpropan-2-ol?
The canonical SMILES for 1-[3-bromo-5-(2-cyclopropylethyl)-1,2,4-triazol-1-yl]-2-methylpropan-2-ol is CC(C)(O)Cn1nc(Br)nc1CCC1CC1.
What is the InChIKey of 1-[3-bromo-5-(2-cyclopropylethyl)-1,2,4-triazol-1-yl]-2-methylpropan-2-ol?
The InChIKey is SRKCLRJDGFPGKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18BrN3O/c1-11(2,16)7-15-9(13-10(12)14-15)6-5-8-3-4-8/h8,16H,3-7H2,1-2H3.
What are the key properties of 1-[3-bromo-5-(2-cyclopropylethyl)-1,2,4-triazol-1-yl]-2-methylpropan-2-ol?
1-[3-bromo-5-(2-cyclopropylethyl)-1,2,4-triazol-1-yl]-2-methylpropan-2-ol has a molecular weight of 288.19 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-bromo-5-(2-cyclopropylethyl)-1,2,4-triazol-1-yl]-2-methylpropan-2-ol is sourced from PubChem (CID 160915947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).