[5-(3,3-difluorocyclopentyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methanol

C11H17F2N3O2 — CID 114226800

IUPAC[5-(3,3-difluorocyclopentyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methanol
SMILESCOCCn1c(CO)nnc1C1CCC(F)(F)C1
InChIInChI=1S/C11H17F2N3O2/c1-18-5-4-16-9(7-17)14-15-10(16)8-2-3-11(12,13)6-8/h8,17H,2-7H2,1H3
InChIKeyIZQXAJVMHMABGW-UHFFFAOYSA-N
MW261.27 g/mol
LogP1.32
Rot. Bonds5

About [5-(3,3-difluorocyclopentyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methanol

[5-(3,3-difluorocyclopentyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methanol (PubChem CID 114226800) has the molecular formula C11H17F2N3O2 and a molecular weight of 261.27 g/mol. Its IUPAC name is [5-(3,3-difluorocyclopentyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methanol.

Molecular Properties

Compound Name[5-(3,3-difluorocyclopentyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methanol
PubChem CID114226800
Molecular FormulaC11H17F2N3O2
Molecular Weight261.27 g/mol
Exact Mass261.13
IUPAC Name[5-(3,3-difluorocyclopentyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methanol
SMILESCOCCn1c(CO)nnc1C1CCC(F)(F)C1
InChIInChI=1S/C11H17F2N3O2/c1-18-5-4-16-9(7-17)14-15-10(16)8-2-3-11(12,13)6-8/h8,17H,2-7H2,1H3
InChIKeyIZQXAJVMHMABGW-UHFFFAOYSA-N
XLogP1.32
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.27
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4-methyl-5-{[1-(4,4,4-trifluorobutyl)piperidin-4-yl]methyl}-4H-1,2,4-triazol-3-yl)methanol
CID 50948143
[4-Tert-butyl-5-(4,4-difluorocyclohexyl)-1,2,4-triazol-3-yl]methanol
CID 81934215
[5-(4,4-Difluorocyclohexyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methanol
CID 81934435
[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-[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-(3,3-difluorocyclopentyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methanol?
The IUPAC name of [5-(3,3-difluorocyclopentyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methanol (CID 114226800) is [5-(3,3-difluorocyclopentyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methanol.
What is the SMILES notation for [5-(3,3-difluorocyclopentyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methanol?
The canonical SMILES for [5-(3,3-difluorocyclopentyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methanol is COCCn1c(CO)nnc1C1CCC(F)(F)C1.
What is the InChIKey of [5-(3,3-difluorocyclopentyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methanol?
The InChIKey is IZQXAJVMHMABGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F2N3O2/c1-18-5-4-16-9(7-17)14-15-10(16)8-2-3-11(12,13)6-8/h8,17H,2-7H2,1H3.
What are the key properties of [5-(3,3-difluorocyclopentyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methanol?
[5-(3,3-difluorocyclopentyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methanol has a molecular weight of 261.27 g/mol, XLogP of 1.32, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3,3-difluorocyclopentyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methanol is sourced from PubChem (CID 114226800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).