1-(1-methyltriazol-4-yl)-2-phenylbutan-2-ol

C13H17N3O — CID 107045726

IUPAC1-(1-methyltriazol-4-yl)-2-phenylbutan-2-ol
SMILESCCC(O)(Cc1cn(C)nn1)c1ccccc1
InChIInChI=1S/C13H17N3O/c1-3-13(17,11-7-5-4-6-8-11)9-12-10-16(2)15-14-12/h4-8,10,17H,3,9H2,1-2H3
InChIKeyRQZWCSDGRFPEJE-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.66
Rot. Bonds4

About 1-(1-methyltriazol-4-yl)-2-phenylbutan-2-ol

1-(1-methyltriazol-4-yl)-2-phenylbutan-2-ol (PubChem CID 107045726) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 1-(1-methyltriazol-4-yl)-2-phenylbutan-2-ol.

Molecular Properties

Compound Name1-(1-methyltriazol-4-yl)-2-phenylbutan-2-ol
PubChem CID107045726
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name1-(1-methyltriazol-4-yl)-2-phenylbutan-2-ol
SMILESCCC(O)(Cc1cn(C)nn1)c1ccccc1
InChIInChI=1S/C13H17N3O/c1-3-13(17,11-7-5-4-6-8-11)9-12-10-16(2)15-14-12/h4-8,10,17H,3,9H2,1-2H3
InChIKeyRQZWCSDGRFPEJE-UHFFFAOYSA-N
XLogP1.66
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-1-(1-methyltriazol-4-yl)-2-phenylbutan-2-ol
CID 107046462
2-(3-bromophenyl)-1-(1-methyltriazol-4-yl)butan-2-ol
CID 114079226
2-(2-methylphenyl)-2-[(1-methyltriazol-4-yl)methyl]propane-1,3-diol
CID 107058399
methyl 2-(aminomethyl)-3-(1-methyltriazol-4-yl)-2-phenylpropanoate
CID 107067060
2-(1-methylpyrazol-4-yl)-1-phenylbutan-2-ol
CID 79007571
4-(2,2-dimethylpropyl)-1-methyltriazole
CID 58079661
2,3-dimethyl-1-(1-methyltriazol-4-yl)pentan-2-ol
CID 107045738
2,2-difluoro-3-(1-methyltriazol-4-yl)propanoic acid
CID 165462011
4-[2-hydroxy-1-(1-methyltriazol-4-yl)propan-2-yl]benzonitrile
CID 107046285
1-(1-cyclopentylpyrazol-3-yl)-2-phenylbutan-2-ol
CID 64783095
2-(1-methyltriazol-4-yl)-1-phenylethanone
CID 107046867
2-cyclopropyl-1-(1-methyltriazol-4-yl)propan-2-ol
CID 107045723

Frequently Asked Questions

What is the IUPAC name of 1-(1-methyltriazol-4-yl)-2-phenylbutan-2-ol?
The IUPAC name of 1-(1-methyltriazol-4-yl)-2-phenylbutan-2-ol (CID 107045726) is 1-(1-methyltriazol-4-yl)-2-phenylbutan-2-ol.
What is the SMILES notation for 1-(1-methyltriazol-4-yl)-2-phenylbutan-2-ol?
The canonical SMILES for 1-(1-methyltriazol-4-yl)-2-phenylbutan-2-ol is CCC(O)(Cc1cn(C)nn1)c1ccccc1.
What is the InChIKey of 1-(1-methyltriazol-4-yl)-2-phenylbutan-2-ol?
The InChIKey is RQZWCSDGRFPEJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-3-13(17,11-7-5-4-6-8-11)9-12-10-16(2)15-14-12/h4-8,10,17H,3,9H2,1-2H3.
What are the key properties of 1-(1-methyltriazol-4-yl)-2-phenylbutan-2-ol?
1-(1-methyltriazol-4-yl)-2-phenylbutan-2-ol has a molecular weight of 231.30 g/mol, XLogP of 1.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methyltriazol-4-yl)-2-phenylbutan-2-ol is sourced from PubChem (CID 107045726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).