[5-(cyclobutylmethyl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]methanol

C12H21N3O — CID 103167579

IUPAC[5-(cyclobutylmethyl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]methanol
SMILESCC(C)Cn1c(CO)nnc1CC1CCC1
InChIInChI=1S/C12H21N3O/c1-9(2)7-15-11(6-10-4-3-5-10)13-14-12(15)8-16/h9-10,16H,3-8H2,1-2H3
InChIKeyVLGAQQWNHSSTRG-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.77
Rot. Bonds5

About [5-(cyclobutylmethyl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]methanol

[5-(cyclobutylmethyl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]methanol (PubChem CID 103167579) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is [5-(cyclobutylmethyl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]methanol.

Molecular Properties

Compound Name[5-(cyclobutylmethyl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]methanol
PubChem CID103167579
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name[5-(cyclobutylmethyl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]methanol
SMILESCC(C)Cn1c(CO)nnc1CC1CCC1
InChIInChI=1S/C12H21N3O/c1-9(2)7-15-11(6-10-4-3-5-10)13-14-12(15)8-16/h9-10,16H,3-8H2,1-2H3
InChIKeyVLGAQQWNHSSTRG-UHFFFAOYSA-N
XLogP1.77
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.77
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-[(5-Cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methyl-ethylamino]-2-methylpropan-1-ol
CID 86797421
2-[3-tert-butyl-5-[(2S)-spiro[2.3]hexan-2-yl]-1,2,4-triazol-1-yl]ethanol
CID 97436286
(4-methyl-5-{[1-(4,4,4-trifluorobutyl)piperidin-4-yl]methyl}-4H-1,2,4-triazol-3-yl)methanol
CID 50948143
[5-(4,4-Difluorocyclohexyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methanol
CID 81934435
[4-Propan-2-yl-5-[4-(trifluoromethyl)cyclohexyl]-1,2,4-triazol-3-yl]methanol
CID 81934490
[5-(4,4-Difluorocyclohexyl)-4-propan-2-yl-1,2,4-triazol-3-yl]methanol
CID 81934511
[4-Ethyl-5-[3-(trifluoromethyl)cyclohexyl]-1,2,4-triazol-3-yl]methanol
CID 81934653
[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-[3-(trifluoromethyl)cyclohexyl]-1,2,4-triazol-3-yl]methanol
CID 81934783

Frequently Asked Questions

What is the IUPAC name of [5-(cyclobutylmethyl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]methanol?
The IUPAC name of [5-(cyclobutylmethyl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]methanol (CID 103167579) is [5-(cyclobutylmethyl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]methanol.
What is the SMILES notation for [5-(cyclobutylmethyl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]methanol?
The canonical SMILES for [5-(cyclobutylmethyl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]methanol is CC(C)Cn1c(CO)nnc1CC1CCC1.
What is the InChIKey of [5-(cyclobutylmethyl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]methanol?
The InChIKey is VLGAQQWNHSSTRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-9(2)7-15-11(6-10-4-3-5-10)13-14-12(15)8-16/h9-10,16H,3-8H2,1-2H3.
What are the key properties of [5-(cyclobutylmethyl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]methanol?
[5-(cyclobutylmethyl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]methanol has a molecular weight of 223.32 g/mol, XLogP of 1.77, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(cyclobutylmethyl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]methanol is sourced from PubChem (CID 103167579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).