methyl 2-cyclopentyl-2-(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)acetate

C16H25N3O2 — CID 115926521

IUPACmethyl 2-cyclopentyl-2-(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)acetate
SMILESCOC(=O)C(c1nnc(C)n1C1CCCC1)C1CCCC1
InChIInChI=1S/C16H25N3O2/c1-11-17-18-15(19(11)13-9-5-6-10-13)14(16(20)21-2)12-7-3-4-8-12/h12-14H,3-10H2,1-2H3
InChIKeyRVOLKSOFYYSEDR-UHFFFAOYSA-N
MW291.39 g/mol
LogP3.15
Rot. Bonds4

About methyl 2-cyclopentyl-2-(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)acetate

methyl 2-cyclopentyl-2-(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)acetate (PubChem CID 115926521) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is methyl 2-cyclopentyl-2-(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)acetate.

Molecular Properties

Compound Namemethyl 2-cyclopentyl-2-(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)acetate
PubChem CID115926521
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Namemethyl 2-cyclopentyl-2-(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)acetate
SMILESCOC(=O)C(c1nnc(C)n1C1CCCC1)C1CCCC1
InChIInChI=1S/C16H25N3O2/c1-11-17-18-15(19(11)13-9-5-6-10-13)14(16(20)21-2)12-7-3-4-8-12/h12-14H,3-10H2,1-2H3
InChIKeyRVOLKSOFYYSEDR-UHFFFAOYSA-N
XLogP3.15
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-cyclopentyl-2-(7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)acetate
CID 115926530
2-(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)-2-methoxyethanamine
CID 106110821
methyl 2-cyclopentyl-2-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]acetate
CID 112569546
methyl 2-cyclopentyl-2-(3-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)acetate
CID 114352533
1-(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)-3-methoxypropan-1-amine
CID 62478267
3-[1-(azetidin-3-yl)ethyl]-4-cyclopentyl-5-methyl-1,2,4-triazole
CID 116684379
(R)-(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)-phenylmethanamine
CID 104899179
methyl 2-(5-chloro-1-methylbenzimidazol-2-yl)-2-cyclopentylacetate
CID 115926131
(2R)-N-carbamoyl-2-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]propanamide
CID 9377742
methyl (2R)-2-cyclohexyl-2-(4-hydroxyphenyl)acetate
CID 125106455
methyl (2R)-2-cyclopentyl-2-(4-fluorophenyl)acetate
CID 124640320
methyl 2-cyclopentyl-2-(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)acetate
CID 114352563

Frequently Asked Questions

What is the IUPAC name of methyl 2-cyclopentyl-2-(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)acetate?
The IUPAC name of methyl 2-cyclopentyl-2-(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)acetate (CID 115926521) is methyl 2-cyclopentyl-2-(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)acetate.
What is the SMILES notation for methyl 2-cyclopentyl-2-(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)acetate?
The canonical SMILES for methyl 2-cyclopentyl-2-(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)acetate is COC(=O)C(c1nnc(C)n1C1CCCC1)C1CCCC1.
What is the InChIKey of methyl 2-cyclopentyl-2-(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)acetate?
The InChIKey is RVOLKSOFYYSEDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-11-17-18-15(19(11)13-9-5-6-10-13)14(16(20)21-2)12-7-3-4-8-12/h12-14H,3-10H2,1-2H3.
What are the key properties of methyl 2-cyclopentyl-2-(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)acetate?
methyl 2-cyclopentyl-2-(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)acetate has a molecular weight of 291.39 g/mol, XLogP of 3.15, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-cyclopentyl-2-(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)acetate is sourced from PubChem (CID 115926521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).