(2R,3S)-3-[4-[(4-methylphenyl)methyl]triazol-1-yl]pentan-2-ol

C15H21N3O — CID 147810636

IUPAC(2R,3S)-3-[4-[(4-methylphenyl)methyl]triazol-1-yl]pentan-2-ol
SMILESCC[C@@H]([C@@H](C)O)n1cc(Cc2ccc(C)cc2)nn1
InChIInChI=1S/C15H21N3O/c1-4-15(12(3)19)18-10-14(16-17-18)9-13-7-5-11(2)6-8-13/h5-8,10,12,15,19H,4,9H2,1-3H3/t12-,15+/m1/s1
InChIKeyHNHSCDXTHMYJCV-DOMZBBRYSA-N
MW259.35 g/mol
LogP2.51
Rot. Bonds5

About (2R,3S)-3-[4-[(4-methylphenyl)methyl]triazol-1-yl]pentan-2-ol

(2R,3S)-3-[4-[(4-methylphenyl)methyl]triazol-1-yl]pentan-2-ol (PubChem CID 147810636) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is (2R,3S)-3-[4-[(4-methylphenyl)methyl]triazol-1-yl]pentan-2-ol.

Molecular Properties

Compound Name(2R,3S)-3-[4-[(4-methylphenyl)methyl]triazol-1-yl]pentan-2-ol
PubChem CID147810636
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name(2R,3S)-3-[4-[(4-methylphenyl)methyl]triazol-1-yl]pentan-2-ol
SMILESCC[C@@H]([C@@H](C)O)n1cc(Cc2ccc(C)cc2)nn1
InChIInChI=1S/C15H21N3O/c1-4-15(12(3)19)18-10-14(16-17-18)9-13-7-5-11(2)6-8-13/h5-8,10,12,15,19H,4,9H2,1-3H3/t12-,15+/m1/s1
InChIKeyHNHSCDXTHMYJCV-DOMZBBRYSA-N
XLogP2.51
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,3S)-3-[4-(4-methylphenyl)triazol-1-yl]pentan-2-ol
CID 149380075
methyl 4-[[1-(1-ethoxy-1-oxopropan-2-yl)triazol-4-yl]methyl]benzoate
CID 166292992
[3-hydroxy-2-[4-[(4-nitrophenyl)methyl]triazol-1-yl]propyl] 4-methylbenzenesulfonate
CID 90022480
1-butan-2-yl-4-ethyltriazole
CID 138568192
1-[4-(3-methylbutyl)triazol-1-yl]propan-1-ol
CID 130383221
(1R)-1-[1-[(4-methylphenyl)methyl]triazol-4-yl]ethanol
CID 67547455
1-(1-butan-2-yltriazol-4-yl)-N-methylmethanamine
CID 66194250
1-methyl-4-[(4-methylphenyl)methyl]benzene;propane;1,4-xylene
CID 161043198
(2R)-1-(4-methylphenyl)butan-2-ol
CID 39235998
(2S)-1-(4-methylphenyl)butan-2-ol
CID 39236000
methane;1-methyl-4-[(4-methylphenyl)methyl]benzene;propane;1,4-xylene
CID 162237370
2-[(4-methylphenyl)methyl]imidazo[1,2-a]pyridin-6-amine
CID 82223223

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-3-[4-[(4-methylphenyl)methyl]triazol-1-yl]pentan-2-ol?
The IUPAC name of (2R,3S)-3-[4-[(4-methylphenyl)methyl]triazol-1-yl]pentan-2-ol (CID 147810636) is (2R,3S)-3-[4-[(4-methylphenyl)methyl]triazol-1-yl]pentan-2-ol.
What is the SMILES notation for (2R,3S)-3-[4-[(4-methylphenyl)methyl]triazol-1-yl]pentan-2-ol?
The canonical SMILES for (2R,3S)-3-[4-[(4-methylphenyl)methyl]triazol-1-yl]pentan-2-ol is CC[C@@H]([C@@H](C)O)n1cc(Cc2ccc(C)cc2)nn1.
What is the InChIKey of (2R,3S)-3-[4-[(4-methylphenyl)methyl]triazol-1-yl]pentan-2-ol?
The InChIKey is HNHSCDXTHMYJCV-DOMZBBRYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-4-15(12(3)19)18-10-14(16-17-18)9-13-7-5-11(2)6-8-13/h5-8,10,12,15,19H,4,9H2,1-3H3/t12-,15+/m1/s1.
What are the key properties of (2R,3S)-3-[4-[(4-methylphenyl)methyl]triazol-1-yl]pentan-2-ol?
(2R,3S)-3-[4-[(4-methylphenyl)methyl]triazol-1-yl]pentan-2-ol has a molecular weight of 259.35 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-3-[4-[(4-methylphenyl)methyl]triazol-1-yl]pentan-2-ol is sourced from PubChem (CID 147810636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).