3-methyl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)-3-pyrrolidin-1-ylbutan-2-ol

C14H26N4O — CID 79055699

IUPAC3-methyl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)-3-pyrrolidin-1-ylbutan-2-ol
SMILESCC(C)n1ncnc1CC(O)C(C)(C)N1CCCC1
InChIInChI=1S/C14H26N4O/c1-11(2)18-13(15-10-16-18)9-12(19)14(3,4)17-7-5-6-8-17/h10-12,19H,5-9H2,1-4H3
InChIKeyHUYFEBIIHLQQLD-UHFFFAOYSA-N
MW266.39 g/mol
LogP1.64
Rot. Bonds5

About 3-methyl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)-3-pyrrolidin-1-ylbutan-2-ol

3-methyl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)-3-pyrrolidin-1-ylbutan-2-ol (PubChem CID 79055699) has the molecular formula C14H26N4O and a molecular weight of 266.39 g/mol. Its IUPAC name is 3-methyl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)-3-pyrrolidin-1-ylbutan-2-ol.

Molecular Properties

Compound Name3-methyl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)-3-pyrrolidin-1-ylbutan-2-ol
PubChem CID79055699
Molecular FormulaC14H26N4O
Molecular Weight266.39 g/mol
Exact Mass266.21
IUPAC Name3-methyl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)-3-pyrrolidin-1-ylbutan-2-ol
SMILESCC(C)n1ncnc1CC(O)C(C)(C)N1CCCC1
InChIInChI=1S/C14H26N4O/c1-11(2)18-13(15-10-16-18)9-12(19)14(3,4)17-7-5-6-8-17/h10-12,19H,5-9H2,1-4H3
InChIKeyHUYFEBIIHLQQLD-UHFFFAOYSA-N
XLogP1.64
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N,3-dimethyl-3-piperidin-1-yl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)butan-2-amine
CID 79052008
N-ethyl-3-methyl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)-3-pyrrolidin-1-ylbutan-2-amine
CID 79051289
3-ethoxy-3-methyl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)pentan-2-ol
CID 116752288
3-(dimethylamino)-3-ethyl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)pentan-2-ol
CID 79061121
1-(2-propan-2-yl-1,2,4-triazol-3-yl)butane-2,3-diol
CID 103452773
1-cyclobutyl-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-2-ol
CID 103170087
3-cyclopropyl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)butan-2-ol
CID 115813961
1-(2-propan-2-yl-1,2,4-triazol-3-yl)hexane-2,3-diol
CID 103454995
5-[2-(bromomethyl)-3,3-dimethylbutyl]-1-propan-2-yl-1,2,4-triazole
CID 83142306
2-methyl-1-phenyl-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-1-ol
CID 104846308
1,1,1-trifluoro-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-2-amine
CID 104999487
[3-methyl-3-piperidin-1-yl-1-(2-propyl-1,2,4-triazol-3-yl)butan-2-yl]hydrazine
CID 105239944

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)-3-pyrrolidin-1-ylbutan-2-ol?
The IUPAC name of 3-methyl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)-3-pyrrolidin-1-ylbutan-2-ol (CID 79055699) is 3-methyl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)-3-pyrrolidin-1-ylbutan-2-ol.
What is the SMILES notation for 3-methyl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)-3-pyrrolidin-1-ylbutan-2-ol?
The canonical SMILES for 3-methyl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)-3-pyrrolidin-1-ylbutan-2-ol is CC(C)n1ncnc1CC(O)C(C)(C)N1CCCC1.
What is the InChIKey of 3-methyl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)-3-pyrrolidin-1-ylbutan-2-ol?
The InChIKey is HUYFEBIIHLQQLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O/c1-11(2)18-13(15-10-16-18)9-12(19)14(3,4)17-7-5-6-8-17/h10-12,19H,5-9H2,1-4H3.
What are the key properties of 3-methyl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)-3-pyrrolidin-1-ylbutan-2-ol?
3-methyl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)-3-pyrrolidin-1-ylbutan-2-ol has a molecular weight of 266.39 g/mol, XLogP of 1.64, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)-3-pyrrolidin-1-ylbutan-2-ol is sourced from PubChem (CID 79055699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).