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

C11H19N3O — CID 103167568

IUPAC[5-(cyclobutylmethyl)-4-propan-2-yl-1,2,4-triazol-3-yl]methanol
SMILESCC(C)n1c(CO)nnc1CC1CCC1
InChIInChI=1S/C11H19N3O/c1-8(2)14-10(6-9-4-3-5-9)12-13-11(14)7-15/h8-9,15H,3-7H2,1-2H3
InChIKeyJUKBBSTVJNEBDL-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.69
Rot. Bonds4

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

[5-(cyclobutylmethyl)-4-propan-2-yl-1,2,4-triazol-3-yl]methanol (PubChem CID 103167568) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is [5-(cyclobutylmethyl)-4-propan-2-yl-1,2,4-triazol-3-yl]methanol.

Molecular Properties

Compound Name[5-(cyclobutylmethyl)-4-propan-2-yl-1,2,4-triazol-3-yl]methanol
PubChem CID103167568
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name[5-(cyclobutylmethyl)-4-propan-2-yl-1,2,4-triazol-3-yl]methanol
SMILESCC(C)n1c(CO)nnc1CC1CCC1
InChIInChI=1S/C11H19N3O/c1-8(2)14-10(6-9-4-3-5-9)12-13-11(14)7-15/h8-9,15H,3-7H2,1-2H3
InChIKeyJUKBBSTVJNEBDL-UHFFFAOYSA-N
XLogP1.69
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[{[5-(1-cyclohexylpiperidin-4-yl)-4-methyl-4H-1,2,4-triazol-3-yl]methyl}(methyl)amino]ethanol
CID 70738024
2-[(5-Cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methyl-ethylamino]-2-methylpropan-1-ol
CID 86797421
(4-methyl-5-{[1-(4,4,4-trifluorobutyl)piperidin-4-yl]methyl}-4H-1,2,4-triazol-3-yl)methanol
CID 50948143
[4-Propan-2-yl-5-[3-(trifluoromethyl)cyclohexyl]-1,2,4-triazol-3-yl]methanol
CID 81934463
[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-Cyclopropyl-5-[4-(trifluoromethyl)cyclohexyl]-1,2,4-triazol-3-yl]methanol
CID 81934550
[4-Cyclopropyl-5-(4,4-difluorocyclohexyl)-1,2,4-triazol-3-yl]methanol
CID 81934572
[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

Frequently Asked Questions

What is the IUPAC name of [5-(cyclobutylmethyl)-4-propan-2-yl-1,2,4-triazol-3-yl]methanol?
The IUPAC name of [5-(cyclobutylmethyl)-4-propan-2-yl-1,2,4-triazol-3-yl]methanol (CID 103167568) is [5-(cyclobutylmethyl)-4-propan-2-yl-1,2,4-triazol-3-yl]methanol.
What is the SMILES notation for [5-(cyclobutylmethyl)-4-propan-2-yl-1,2,4-triazol-3-yl]methanol?
The canonical SMILES for [5-(cyclobutylmethyl)-4-propan-2-yl-1,2,4-triazol-3-yl]methanol is CC(C)n1c(CO)nnc1CC1CCC1.
What is the InChIKey of [5-(cyclobutylmethyl)-4-propan-2-yl-1,2,4-triazol-3-yl]methanol?
The InChIKey is JUKBBSTVJNEBDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-8(2)14-10(6-9-4-3-5-9)12-13-11(14)7-15/h8-9,15H,3-7H2,1-2H3.
What are the key properties of [5-(cyclobutylmethyl)-4-propan-2-yl-1,2,4-triazol-3-yl]methanol?
[5-(cyclobutylmethyl)-4-propan-2-yl-1,2,4-triazol-3-yl]methanol has a molecular weight of 209.29 g/mol, XLogP of 1.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(cyclobutylmethyl)-4-propan-2-yl-1,2,4-triazol-3-yl]methanol is sourced from PubChem (CID 103167568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).