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

C11H19N3O — CID 107186329

IUPAC[5-(2,2-dimethylcyclopentyl)-4-methyl-1,2,4-triazol-3-yl]methanol
SMILESCn1c(CO)nnc1C1CCCC1(C)C
InChIInChI=1S/C11H19N3O/c1-11(2)6-4-5-8(11)10-13-12-9(7-15)14(10)3/h8,15H,4-7H2,1-3H3
InChIKeyUZRHZKGJROGXPQ-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.60
Rot. Bonds2

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

[5-(2,2-dimethylcyclopentyl)-4-methyl-1,2,4-triazol-3-yl]methanol (PubChem CID 107186329) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is [5-(2,2-dimethylcyclopentyl)-4-methyl-1,2,4-triazol-3-yl]methanol.

Molecular Properties

Compound Name[5-(2,2-dimethylcyclopentyl)-4-methyl-1,2,4-triazol-3-yl]methanol
PubChem CID107186329
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name[5-(2,2-dimethylcyclopentyl)-4-methyl-1,2,4-triazol-3-yl]methanol
SMILESCn1c(CO)nnc1C1CCCC1(C)C
InChIInChI=1S/C11H19N3O/c1-11(2)6-4-5-8(11)10-13-12-9(7-15)14(10)3/h8,15H,4-7H2,1-3H3
InChIKeyUZRHZKGJROGXPQ-UHFFFAOYSA-N
XLogP1.60
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-(2,2-dimethylcyclopentyl)-4-methyl-1,2,4-triazol-3-yl]methanamine
CID 107186493
(5-cyclooctyl-4-methyl-1,2,4-triazol-3-yl)methanol
CID 115396998
3-(bromomethyl)-5-(2,2-dimethylcyclohexyl)-4-propyl-1,2,4-triazole
CID 107186407
5-(2,2-dimethylcyclopentyl)-1,2,4-triazole-3,4-diamine
CID 107176865
[4-methyl-5-(3-oxabicyclo[3.1.0]hexan-6-yl)-1,2,4-triazol-3-yl]methanol
CID 130892520
1-[(3R)-3-[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-2-methylsulfanylethanone
CID 99961915
3-(2,2-dimethylcyclopentyl)-8-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 107195177
2-[[5-(2,2-dimethylcyclopentyl)-4-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetic acid
CID 107180102
[4-methyl-5-(2-phenylcyclopropyl)-1,2,4-triazol-3-yl]methanol
CID 115397058
N-[3-[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide
CID 91791171
3-[5-(2,2-dimethylcyclohexyl)tetrazol-1-yl]propanoic acid
CID 107185767
N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-2,2-dimethylcyclopentan-1-amine
CID 79861760

Frequently Asked Questions

What is the IUPAC name of [5-(2,2-dimethylcyclopentyl)-4-methyl-1,2,4-triazol-3-yl]methanol?
The IUPAC name of [5-(2,2-dimethylcyclopentyl)-4-methyl-1,2,4-triazol-3-yl]methanol (CID 107186329) is [5-(2,2-dimethylcyclopentyl)-4-methyl-1,2,4-triazol-3-yl]methanol.
What is the SMILES notation for [5-(2,2-dimethylcyclopentyl)-4-methyl-1,2,4-triazol-3-yl]methanol?
The canonical SMILES for [5-(2,2-dimethylcyclopentyl)-4-methyl-1,2,4-triazol-3-yl]methanol is Cn1c(CO)nnc1C1CCCC1(C)C.
What is the InChIKey of [5-(2,2-dimethylcyclopentyl)-4-methyl-1,2,4-triazol-3-yl]methanol?
The InChIKey is UZRHZKGJROGXPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-11(2)6-4-5-8(11)10-13-12-9(7-15)14(10)3/h8,15H,4-7H2,1-3H3.
What are the key properties of [5-(2,2-dimethylcyclopentyl)-4-methyl-1,2,4-triazol-3-yl]methanol?
[5-(2,2-dimethylcyclopentyl)-4-methyl-1,2,4-triazol-3-yl]methanol has a molecular weight of 209.29 g/mol, XLogP of 1.60, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2,2-dimethylcyclopentyl)-4-methyl-1,2,4-triazol-3-yl]methanol is sourced from PubChem (CID 107186329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).