4-propan-2-yl-1-(2-propan-2-yloxypropyl)triazole

C11H21N3O — CID 177261425

IUPAC4-propan-2-yl-1-(2-propan-2-yloxypropyl)triazole
SMILESCC(C)OC(C)Cn1cc(C(C)C)nn1
InChIInChI=1S/C11H21N3O/c1-8(2)11-7-14(13-12-11)6-10(5)15-9(3)4/h7-10H,6H2,1-5H3
InChIKeyVYLOLGADEWPHDW-UHFFFAOYSA-N
MW211.31 g/mol
LogP2.21
Rot. Bonds5

About 4-propan-2-yl-1-(2-propan-2-yloxypropyl)triazole

4-propan-2-yl-1-(2-propan-2-yloxypropyl)triazole (PubChem CID 177261425) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is 4-propan-2-yl-1-(2-propan-2-yloxypropyl)triazole.

Molecular Properties

Compound Name4-propan-2-yl-1-(2-propan-2-yloxypropyl)triazole
PubChem CID177261425
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC Name4-propan-2-yl-1-(2-propan-2-yloxypropyl)triazole
SMILESCC(C)OC(C)Cn1cc(C(C)C)nn1
InChIInChI=1S/C11H21N3O/c1-8(2)11-7-14(13-12-11)6-10(5)15-9(3)4/h7-10H,6H2,1-5H3
InChIKeyVYLOLGADEWPHDW-UHFFFAOYSA-N
XLogP2.21
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-propan-2-yltriazol-1-yl)methylphosphane
CID 59576295
4-(1-bromoethyl)-1-(2-methylpropyl)triazole
CID 81448658
ethane;3-(4-propan-2-yltriazol-1-yl)propan-1-ol
CID 170610061
1-sulfanylethyl 2-(4-propan-2-yltriazol-1-yl)acetate
CID 155094676
1-[4-(1-aminoethyl)triazol-1-yl]propan-2-ol
CID 114419408
4-(4-propan-2-yltriazol-1-yl)butanoic acid
CID 164942263
1-[4-(diethoxymethyl)triazol-1-yl]propan-2-ol
CID 66216751
methane;2-methyl-N-[(4-propan-2-yltriazol-1-yl)methyl]propanamide
CID 160921955
ethyl 4-(4-propan-2-yltriazol-1-yl)butanoate
CID 164942287
(1-ethyltriazol-4-yl)methanediol
CID 170377100
3-[4-(1-aminoethyl)triazol-1-yl]propane-1,2-diol
CID 114420161
1-[4-(1-aminoethyl)triazol-1-yl]butan-2-ol
CID 114420023

Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-1-(2-propan-2-yloxypropyl)triazole?
The IUPAC name of 4-propan-2-yl-1-(2-propan-2-yloxypropyl)triazole (CID 177261425) is 4-propan-2-yl-1-(2-propan-2-yloxypropyl)triazole.
What is the SMILES notation for 4-propan-2-yl-1-(2-propan-2-yloxypropyl)triazole?
The canonical SMILES for 4-propan-2-yl-1-(2-propan-2-yloxypropyl)triazole is CC(C)OC(C)Cn1cc(C(C)C)nn1.
What is the InChIKey of 4-propan-2-yl-1-(2-propan-2-yloxypropyl)triazole?
The InChIKey is VYLOLGADEWPHDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O/c1-8(2)11-7-14(13-12-11)6-10(5)15-9(3)4/h7-10H,6H2,1-5H3.
What are the key properties of 4-propan-2-yl-1-(2-propan-2-yloxypropyl)triazole?
4-propan-2-yl-1-(2-propan-2-yloxypropyl)triazole has a molecular weight of 211.31 g/mol, XLogP of 2.21, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-1-(2-propan-2-yloxypropyl)triazole is sourced from PubChem (CID 177261425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).