ethane;2-methyl-1-[3-(4-methylphenyl)-1,2,4-triazol-1-yl]propan-2-ol

C15H23N3O — CID 143852028

IUPACethane;2-methyl-1-[3-(4-methylphenyl)-1,2,4-triazol-1-yl]propan-2-ol
SMILESCC.Cc1ccc(-c2ncn(CC(C)(C)O)n2)cc1
InChIInChI=1S/C13H17N3O.C2H6/c1-10-4-6-11(7-5-10)12-14-9-16(15-12)8-13(2,3)17;1-2/h4-7,9,17H,8H2,1-3H3;1-2H3
InChIKeyVFPWRUUOGWWSIX-UHFFFAOYSA-N
MW261.37 g/mol
LogP3.05
Rot. Bonds3

About ethane;2-methyl-1-[3-(4-methylphenyl)-1,2,4-triazol-1-yl]propan-2-ol

ethane;2-methyl-1-[3-(4-methylphenyl)-1,2,4-triazol-1-yl]propan-2-ol (PubChem CID 143852028) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is ethane;2-methyl-1-[3-(4-methylphenyl)-1,2,4-triazol-1-yl]propan-2-ol.

Molecular Properties

Compound Nameethane;2-methyl-1-[3-(4-methylphenyl)-1,2,4-triazol-1-yl]propan-2-ol
PubChem CID143852028
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Nameethane;2-methyl-1-[3-(4-methylphenyl)-1,2,4-triazol-1-yl]propan-2-ol
SMILESCC.Cc1ccc(-c2ncn(CC(C)(C)O)n2)cc1
InChIInChI=1S/C13H17N3O.C2H6/c1-10-4-6-11(7-5-10)12-14-9-16(15-12)8-13(2,3)17;1-2/h4-7,9,17H,8H2,1-3H3;1-2H3
InChIKeyVFPWRUUOGWWSIX-UHFFFAOYSA-N
XLogP3.05
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,4-dimethylpyrazol-1-yl)-2-methylpropan-2-ol;ethane
CID 144607283
1-[(4-methylphenyl)methyl]-3-(4-nitrophenyl)-1,2,4-triazole
CID 60617431
ethane;1-(3-ethylpyrazol-1-yl)-2-methylpropan-2-ol
CID 177014001
4-[1-(3-methylbut-2-enyl)-1,2,4-triazol-3-yl]aniline
CID 114014065
3-[3-(4-methoxyphenyl)-1,2,4-triazol-1-yl]propan-1-ol
CID 141010071
2-methyl-1-[5-[(4-methylphenoxy)methyl]-3-(phenoxymethyl)-1,2,4-triazol-1-yl]propan-2-ol
CID 131920197
1-(4-ethyl-3-methylpyrazol-1-yl)-2-methylpropan-2-ol
CID 144607417
1-(2,2-dimethylpropyl)-3-methyl-1,2,4-triazole
CID 137469673
3-(4-methylphenyl)-1-[4-(trifluoromethyl)phenyl]-1,2,4-triazole
CID 118614458
1-(2-hydroxy-2-methylpropyl)-3,5-dimethylpyridazin-4-one
CID 167082386
tert-butyl N-[[4-[1-(4-methylphenyl)-1,2,4-triazol-3-yl]phenyl]methyl]carbamate
CID 90439618
(2S)-1-[3-(4-nitrophenyl)-1,2,4-triazol-1-yl]propan-2-ol
CID 106932982

Frequently Asked Questions

What is the IUPAC name of ethane;2-methyl-1-[3-(4-methylphenyl)-1,2,4-triazol-1-yl]propan-2-ol?
The IUPAC name of ethane;2-methyl-1-[3-(4-methylphenyl)-1,2,4-triazol-1-yl]propan-2-ol (CID 143852028) is ethane;2-methyl-1-[3-(4-methylphenyl)-1,2,4-triazol-1-yl]propan-2-ol.
What is the SMILES notation for ethane;2-methyl-1-[3-(4-methylphenyl)-1,2,4-triazol-1-yl]propan-2-ol?
The canonical SMILES for ethane;2-methyl-1-[3-(4-methylphenyl)-1,2,4-triazol-1-yl]propan-2-ol is CC.Cc1ccc(-c2ncn(CC(C)(C)O)n2)cc1.
What is the InChIKey of ethane;2-methyl-1-[3-(4-methylphenyl)-1,2,4-triazol-1-yl]propan-2-ol?
The InChIKey is VFPWRUUOGWWSIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O.C2H6/c1-10-4-6-11(7-5-10)12-14-9-16(15-12)8-13(2,3)17;1-2/h4-7,9,17H,8H2,1-3H3;1-2H3.
What are the key properties of ethane;2-methyl-1-[3-(4-methylphenyl)-1,2,4-triazol-1-yl]propan-2-ol?
ethane;2-methyl-1-[3-(4-methylphenyl)-1,2,4-triazol-1-yl]propan-2-ol has a molecular weight of 261.37 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methyl-1-[3-(4-methylphenyl)-1,2,4-triazol-1-yl]propan-2-ol is sourced from PubChem (CID 143852028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).