3-cyclopropyl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)butan-2-ol

C12H21N3O — CID 115813961

IUPAC3-cyclopropyl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)butan-2-ol
SMILESCC(C(O)Cc1ncnn1C(C)C)C1CC1
InChIInChI=1S/C12H21N3O/c1-8(2)15-12(13-7-14-15)6-11(16)9(3)10-4-5-10/h7-11,16H,4-6H2,1-3H3
InChIKeyOYSMWGMYVYEFAU-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.81
Rot. Bonds5

About 3-cyclopropyl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)butan-2-ol

3-cyclopropyl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)butan-2-ol (PubChem CID 115813961) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 3-cyclopropyl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)butan-2-ol.

Molecular Properties

Compound Name3-cyclopropyl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)butan-2-ol
PubChem CID115813961
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name3-cyclopropyl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)butan-2-ol
SMILESCC(C(O)Cc1ncnn1C(C)C)C1CC1
InChIInChI=1S/C12H21N3O/c1-8(2)15-12(13-7-14-15)6-11(16)9(3)10-4-5-10/h7-11,16H,4-6H2,1-3H3
InChIKeyOYSMWGMYVYEFAU-UHFFFAOYSA-N
XLogP1.81
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-cyclopropyl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)butan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
1-(2-propan-2-yl-1,2,4-triazol-3-yl)hexane-2,3-diol
CID 103454995
1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanamine
CID 104999743
3-cyclopropyl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)butan-2-one
CID 114981433
1-cyclobutyl-N-methyl-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-2-amine
CID 103168954
4-[1-fluoro-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethyl]piperidine
CID 112563844
1,1,1-trifluoro-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-2-amine
CID 104999487
[2-(2-propan-2-yl-1,2,4-triazol-3-yl)-1-(thiolan-3-yl)ethyl]hydrazine
CID 105317428
N-[2-methyl-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propyl]cyclobutanamine
CID 114899121
2-cyclopropyl-2-methyl-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-1-ol
CID 83150451
3-methyl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)-3-pyrrolidin-1-ylbutan-2-ol
CID 79055699

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)butan-2-ol?
The IUPAC name of 3-cyclopropyl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)butan-2-ol (CID 115813961) is 3-cyclopropyl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)butan-2-ol.
What is the SMILES notation for 3-cyclopropyl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)butan-2-ol?
The canonical SMILES for 3-cyclopropyl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)butan-2-ol is CC(C(O)Cc1ncnn1C(C)C)C1CC1.
What is the InChIKey of 3-cyclopropyl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)butan-2-ol?
The InChIKey is OYSMWGMYVYEFAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-8(2)15-12(13-7-14-15)6-11(16)9(3)10-4-5-10/h7-11,16H,4-6H2,1-3H3.
What are the key properties of 3-cyclopropyl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)butan-2-ol?
3-cyclopropyl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)butan-2-ol has a molecular weight of 223.32 g/mol, XLogP of 1.81, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)butan-2-ol is sourced from PubChem (CID 115813961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).