(2,2-dimethylcyclopentyl)-(3-methyltriazol-4-yl)methanol

C11H19N3O — CID 107192940

IUPAC(2,2-dimethylcyclopentyl)-(3-methyltriazol-4-yl)methanol
SMILESCn1nncc1C(O)C1CCCC1(C)C
InChIInChI=1S/C11H19N3O/c1-11(2)6-4-5-8(11)10(15)9-7-12-13-14(9)3/h7-8,10,15H,4-6H2,1-3H3
InChIKeyZXMJMGKJJZFBJO-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.67
Rot. Bonds2

About (2,2-dimethylcyclopentyl)-(3-methyltriazol-4-yl)methanol

(2,2-dimethylcyclopentyl)-(3-methyltriazol-4-yl)methanol (PubChem CID 107192940) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is (2,2-dimethylcyclopentyl)-(3-methyltriazol-4-yl)methanol.

Molecular Properties

Compound Name(2,2-dimethylcyclopentyl)-(3-methyltriazol-4-yl)methanol
PubChem CID107192940
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name(2,2-dimethylcyclopentyl)-(3-methyltriazol-4-yl)methanol
SMILESCn1nncc1C(O)C1CCCC1(C)C
InChIInChI=1S/C11H19N3O/c1-11(2)6-4-5-8(11)10(15)9-7-12-13-14(9)3/h7-8,10,15H,4-6H2,1-3H3
InChIKeyZXMJMGKJJZFBJO-UHFFFAOYSA-N
XLogP1.67
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 ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(2,2-dimethylcyclopentyl)-(3-methyltriazol-4-yl)methyl]hydrazine
CID 107194810
6-bicyclo[3.1.0]hexanyl-(3-methyltriazol-4-yl)methanol
CID 115835967
(4-methylcyclohexyl)-(3-methyltriazol-4-yl)methanol
CID 114685116
(2,2-dimethylcyclopentyl)-(2-ethylpyrazol-3-yl)methanol
CID 107192287
(4-ethylcyclohexyl)-(3-methyltriazol-4-yl)methanol
CID 114686506
2-bicyclo[2.2.1]heptanyl-(3-methyltriazol-4-yl)methanol
CID 114686755
(2,2-dimethylcyclopentyl)-(1-phenylpyrazol-4-yl)methanol
CID 107181622
(2,2-dimethylcyclopropyl)-(3-propyltriazol-4-yl)methanol
CID 107005461
(1-methoxycyclobutyl)-(3-methyltriazol-4-yl)methanol
CID 114686777
1-(2,2-dimethylcyclohexyl)-N-methyl-1-(3-propyltriazol-4-yl)methanamine
CID 107190904
(1-methoxycycloheptyl)-(3-methyltriazol-4-yl)methanol
CID 114686842
(3,5-difluorophenyl)-(2,2-dimethylcyclopentyl)methanol
CID 107192212

Frequently Asked Questions

What is the IUPAC name of (2,2-dimethylcyclopentyl)-(3-methyltriazol-4-yl)methanol?
The IUPAC name of (2,2-dimethylcyclopentyl)-(3-methyltriazol-4-yl)methanol (CID 107192940) is (2,2-dimethylcyclopentyl)-(3-methyltriazol-4-yl)methanol.
What is the SMILES notation for (2,2-dimethylcyclopentyl)-(3-methyltriazol-4-yl)methanol?
The canonical SMILES for (2,2-dimethylcyclopentyl)-(3-methyltriazol-4-yl)methanol is Cn1nncc1C(O)C1CCCC1(C)C.
What is the InChIKey of (2,2-dimethylcyclopentyl)-(3-methyltriazol-4-yl)methanol?
The InChIKey is ZXMJMGKJJZFBJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-11(2)6-4-5-8(11)10(15)9-7-12-13-14(9)3/h7-8,10,15H,4-6H2,1-3H3.
What are the key properties of (2,2-dimethylcyclopentyl)-(3-methyltriazol-4-yl)methanol?
(2,2-dimethylcyclopentyl)-(3-methyltriazol-4-yl)methanol has a molecular weight of 209.29 g/mol, XLogP of 1.67, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-dimethylcyclopentyl)-(3-methyltriazol-4-yl)methanol is sourced from PubChem (CID 107192940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).