(2R)-1-[4-(4-propan-2-ylphenyl)triazol-1-yl]propan-2-ol

C14H19N3O — CID 137411369

IUPAC(2R)-1-[4-(4-propan-2-ylphenyl)triazol-1-yl]propan-2-ol
SMILESCC(C)c1ccc(-c2cn(C[C@@H](C)O)nn2)cc1
InChIInChI=1S/C14H19N3O/c1-10(2)12-4-6-13(7-5-12)14-9-17(16-15-14)8-11(3)18/h4-7,9-11,18H,8H2,1-3H3/t11-/m1/s1
InChIKeyCTZZSCQCPGNFEL-LLVKDONJSA-N
MW245.33 g/mol
LogP2.45
Rot. Bonds4

About (2R)-1-[4-(4-propan-2-ylphenyl)triazol-1-yl]propan-2-ol

(2R)-1-[4-(4-propan-2-ylphenyl)triazol-1-yl]propan-2-ol (PubChem CID 137411369) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is (2R)-1-[4-(4-propan-2-ylphenyl)triazol-1-yl]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-[4-(4-propan-2-ylphenyl)triazol-1-yl]propan-2-ol
PubChem CID137411369
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name(2R)-1-[4-(4-propan-2-ylphenyl)triazol-1-yl]propan-2-ol
SMILESCC(C)c1ccc(-c2cn(C[C@@H](C)O)nn2)cc1
InChIInChI=1S/C14H19N3O/c1-10(2)12-4-6-13(7-5-12)14-9-17(16-15-14)8-11(3)18/h4-7,9-11,18H,8H2,1-3H3/t11-/m1/s1
InChIKeyCTZZSCQCPGNFEL-LLVKDONJSA-N
XLogP2.45
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-[4-(4-propan-2-ylphenyl)triazol-1-yl]propan-2-ol?
The IUPAC name of (2R)-1-[4-(4-propan-2-ylphenyl)triazol-1-yl]propan-2-ol (CID 137411369) is (2R)-1-[4-(4-propan-2-ylphenyl)triazol-1-yl]propan-2-ol.
What is the SMILES notation for (2R)-1-[4-(4-propan-2-ylphenyl)triazol-1-yl]propan-2-ol?
The canonical SMILES for (2R)-1-[4-(4-propan-2-ylphenyl)triazol-1-yl]propan-2-ol is CC(C)c1ccc(-c2cn(C[C@@H](C)O)nn2)cc1.
What is the InChIKey of (2R)-1-[4-(4-propan-2-ylphenyl)triazol-1-yl]propan-2-ol?
The InChIKey is CTZZSCQCPGNFEL-LLVKDONJSA-N. The full InChI is InChI=1S/C14H19N3O/c1-10(2)12-4-6-13(7-5-12)14-9-17(16-15-14)8-11(3)18/h4-7,9-11,18H,8H2,1-3H3/t11-/m1/s1.
What are the key properties of (2R)-1-[4-(4-propan-2-ylphenyl)triazol-1-yl]propan-2-ol?
(2R)-1-[4-(4-propan-2-ylphenyl)triazol-1-yl]propan-2-ol has a molecular weight of 245.33 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[4-(4-propan-2-ylphenyl)triazol-1-yl]propan-2-ol is sourced from PubChem (CID 137411369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).