4-cyclopentyl-3-(4-methoxypyrrolidin-2-yl)-1,2,4-triazole

C12H20N4O — CID 55107876

IUPAC4-cyclopentyl-3-(4-methoxypyrrolidin-2-yl)-1,2,4-triazole
SMILESCOC1CNC(c2nncn2C2CCCC2)C1
InChIInChI=1S/C12H20N4O/c1-17-10-6-11(13-7-10)12-15-14-8-16(12)9-4-2-3-5-9/h8-11,13H,2-7H2,1H3
InChIKeyPUAFALHPIWIMFP-UHFFFAOYSA-N
MW236.32 g/mol
LogP1.44
Rot. Bonds3

About 4-cyclopentyl-3-(4-methoxypyrrolidin-2-yl)-1,2,4-triazole

4-cyclopentyl-3-(4-methoxypyrrolidin-2-yl)-1,2,4-triazole (PubChem CID 55107876) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 4-cyclopentyl-3-(4-methoxypyrrolidin-2-yl)-1,2,4-triazole.

Molecular Properties

Compound Name4-cyclopentyl-3-(4-methoxypyrrolidin-2-yl)-1,2,4-triazole
PubChem CID55107876
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name4-cyclopentyl-3-(4-methoxypyrrolidin-2-yl)-1,2,4-triazole
SMILESCOC1CNC(c2nncn2C2CCCC2)C1
InChIInChI=1S/C12H20N4O/c1-17-10-6-11(13-7-10)12-15-14-8-16(12)9-4-2-3-5-9/h8-11,13H,2-7H2,1H3
InChIKeyPUAFALHPIWIMFP-UHFFFAOYSA-N
XLogP1.44
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(2S,4R)-4-Methoxypyrrolidin-2-yl]-4-methyl-4H-1,2,4-triazole
CID 94552503
(1S)-N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethanamine
CID 164634458
3-[(2S,4R)-4-methoxy-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidin-2-yl]-4-methyl-1,2,4-triazole
CID 128982107
5-[(2S,4R)-4-methoxy-1-(2,2,2-trifluoroethyl)pyrrolidin-2-yl]-1H-1,2,4-triazole
CID 128982791
5-[(2S,4R)-4-methoxy-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidin-2-yl]-1H-1,2,4-triazole
CID 128982849
(2S,4R)-4-methoxy-2-(4-methyl-1,2,4-triazol-3-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyrrolidine-1-carboxamide
CID 138000498
N-{1-[4-(2-methoxyethyl)-4H-1,2,4-triazol-3-yl]ethyl}cyclopentanamine
CID 50981187
N-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxolan-3-amine
CID 63335152
3-(4-methoxypyrrolidin-2-yl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole
CID 43142771
3-(4-methoxypyrrolidin-2-yl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine
CID 43142815
1-(4-methyl-1,2,4-triazol-3-yl)-N-(oxolan-3-ylmethyl)ethanamine
CID 43703258
2-methoxy-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]cyclohexan-1-amine
CID 43783926

Frequently Asked Questions

What is the IUPAC name of 4-cyclopentyl-3-(4-methoxypyrrolidin-2-yl)-1,2,4-triazole?
The IUPAC name of 4-cyclopentyl-3-(4-methoxypyrrolidin-2-yl)-1,2,4-triazole (CID 55107876) is 4-cyclopentyl-3-(4-methoxypyrrolidin-2-yl)-1,2,4-triazole.
What is the SMILES notation for 4-cyclopentyl-3-(4-methoxypyrrolidin-2-yl)-1,2,4-triazole?
The canonical SMILES for 4-cyclopentyl-3-(4-methoxypyrrolidin-2-yl)-1,2,4-triazole is COC1CNC(c2nncn2C2CCCC2)C1.
What is the InChIKey of 4-cyclopentyl-3-(4-methoxypyrrolidin-2-yl)-1,2,4-triazole?
The InChIKey is PUAFALHPIWIMFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-17-10-6-11(13-7-10)12-15-14-8-16(12)9-4-2-3-5-9/h8-11,13H,2-7H2,1H3.
What are the key properties of 4-cyclopentyl-3-(4-methoxypyrrolidin-2-yl)-1,2,4-triazole?
4-cyclopentyl-3-(4-methoxypyrrolidin-2-yl)-1,2,4-triazole has a molecular weight of 236.32 g/mol, XLogP of 1.44, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentyl-3-(4-methoxypyrrolidin-2-yl)-1,2,4-triazole is sourced from PubChem (CID 55107876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).