[4-methyl-5-(2,3,3-trimethylbutyl)-1,2,4-triazol-3-yl]methanol

C11H21N3O — CID 115396932

IUPAC[4-methyl-5-(2,3,3-trimethylbutyl)-1,2,4-triazol-3-yl]methanol
SMILESCC(Cc1nnc(CO)n1C)C(C)(C)C
InChIInChI=1S/C11H21N3O/c1-8(11(2,3)4)6-9-12-13-10(7-15)14(9)5/h8,15H,6-7H2,1-5H3
InChIKeyWOVNARHPANUBKJ-UHFFFAOYSA-N
MW211.31 g/mol
LogP1.53
Rot. Bonds3

About [4-methyl-5-(2,3,3-trimethylbutyl)-1,2,4-triazol-3-yl]methanol

[4-methyl-5-(2,3,3-trimethylbutyl)-1,2,4-triazol-3-yl]methanol (PubChem CID 115396932) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is [4-methyl-5-(2,3,3-trimethylbutyl)-1,2,4-triazol-3-yl]methanol.

Molecular Properties

Compound Name[4-methyl-5-(2,3,3-trimethylbutyl)-1,2,4-triazol-3-yl]methanol
PubChem CID115396932
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC Name[4-methyl-5-(2,3,3-trimethylbutyl)-1,2,4-triazol-3-yl]methanol
SMILESCC(Cc1nnc(CO)n1C)C(C)(C)C
InChIInChI=1S/C11H21N3O/c1-8(11(2,3)4)6-9-12-13-10(7-15)14(9)5/h8,15H,6-7H2,1-5H3
InChIKeyWOVNARHPANUBKJ-UHFFFAOYSA-N
XLogP1.53
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[({5-[1-(2,2-dimethylpropyl)piperidin-4-yl]-4-methyl-4H-1,2,4-triazol-3-yl}methyl)(methyl)amino]ethanol
CID 70710980
(5-cyclopropyl-4-methyl-4H-1,2,4-triazol-3-yl)methanol
CID 71757969
2-[3-tert-butyl-5-[(2S)-spiro[2.3]hexan-2-yl]-1,2,4-triazol-1-yl]ethanol
CID 97436286
(1S)-1-[5-tert-butyl-2-(2-hydroxyethyl)-1,2,4-triazol-3-yl]-3-methylbutan-1-ol
CID 97452955
(4-methyl-5-{[1-(4,4,4-trifluorobutyl)piperidin-4-yl]methyl}-4H-1,2,4-triazol-3-yl)methanol
CID 50948143
[4-Ethyl-5-[4-(trifluoromethyl)cyclohexyl]-1,2,4-triazol-3-yl]methanol
CID 81934695
[5-(4,4-Difluorocyclohexyl)-4-ethyl-1,2,4-triazol-3-yl]methanol
CID 81934737
[4-Propyl-5-[4-(trifluoromethyl)cyclohexyl]-1,2,4-triazol-3-yl]methanol
CID 81934849
[5-(4,4-Difluorocyclohexyl)-4-propyl-1,2,4-triazol-3-yl]methanol
CID 81934891
[4-Methyl-5-[3-(trifluoromethyl)cyclohexyl]-1,2,4-triazol-3-yl]methanol
CID 81934938
[4-Methyl-5-[4-(trifluoromethyl)cyclohexyl]-1,2,4-triazol-3-yl]methanol
CID 81934983
[5-(4,4-Difluorocyclohexyl)-4-methyl-1,2,4-triazol-3-yl]methanol
CID 81934984

Frequently Asked Questions

What is the IUPAC name of [4-methyl-5-(2,3,3-trimethylbutyl)-1,2,4-triazol-3-yl]methanol?
The IUPAC name of [4-methyl-5-(2,3,3-trimethylbutyl)-1,2,4-triazol-3-yl]methanol (CID 115396932) is [4-methyl-5-(2,3,3-trimethylbutyl)-1,2,4-triazol-3-yl]methanol.
What is the SMILES notation for [4-methyl-5-(2,3,3-trimethylbutyl)-1,2,4-triazol-3-yl]methanol?
The canonical SMILES for [4-methyl-5-(2,3,3-trimethylbutyl)-1,2,4-triazol-3-yl]methanol is CC(Cc1nnc(CO)n1C)C(C)(C)C.
What is the InChIKey of [4-methyl-5-(2,3,3-trimethylbutyl)-1,2,4-triazol-3-yl]methanol?
The InChIKey is WOVNARHPANUBKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O/c1-8(11(2,3)4)6-9-12-13-10(7-15)14(9)5/h8,15H,6-7H2,1-5H3.
What are the key properties of [4-methyl-5-(2,3,3-trimethylbutyl)-1,2,4-triazol-3-yl]methanol?
[4-methyl-5-(2,3,3-trimethylbutyl)-1,2,4-triazol-3-yl]methanol has a molecular weight of 211.31 g/mol, XLogP of 1.53, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-5-(2,3,3-trimethylbutyl)-1,2,4-triazol-3-yl]methanol is sourced from PubChem (CID 115396932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).