cyclopentyl-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-1-yl]methanone

C14H22N4O — CID 110196052

IUPACcyclopentyl-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-1-yl]methanone
SMILESCn1cnnc1CC1CCN(C(=O)C2CCCC2)C1
InChIInChI=1S/C14H22N4O/c1-17-10-15-16-13(17)8-11-6-7-18(9-11)14(19)12-4-2-3-5-12/h10-12H,2-9H2,1H3
InChIKeyLPTALWXXFZMLQZ-UHFFFAOYSA-N
MW262.36 g/mol
LogP1.40
Rot. Bonds3

About cyclopentyl-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-1-yl]methanone

cyclopentyl-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-1-yl]methanone (PubChem CID 110196052) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is cyclopentyl-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Namecyclopentyl-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-1-yl]methanone
PubChem CID110196052
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Namecyclopentyl-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-1-yl]methanone
SMILESCn1cnnc1CC1CCN(C(=O)C2CCCC2)C1
InChIInChI=1S/C14H22N4O/c1-17-10-15-16-13(17)8-11-6-7-18(9-11)14(19)12-4-2-3-5-12/h10-12H,2-9H2,1H3
InChIKeyLPTALWXXFZMLQZ-UHFFFAOYSA-N
XLogP1.40
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(4-isopropyl-4H-1,2,4-triazol-3-yl)ethyl]cyclopentanecarboxamide
CID 45199342
3-cyclopentyl-1-[4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)piperidin-1-yl]propan-1-one
CID 45832386
Cyclopropyl-[4-[(4-ethyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]methanone
CID 91919511
Cyclopentyl-[3-[(4-ethyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-1-yl]methanone
CID 110196059
Cyclopentyl-[4-(4-propyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
CID 53192598
2-Cyclopentyl-1-[2-(4-propyl-4H-1,2,4-triazol-3-YL)piperidin-1-YL]ethan-1-one
CID 87052136
1-Cyclopentanecarbonyl-2-[4-(cyclopropylmethyl)-4H-1,2,4-triazol-3-YL]piperidine
CID 87052182
1-Cyclobutanecarbonyl-3-{[4-(cyclopropylmethyl)-4H-1,2,4-triazol-3-YL]methyl}piperidine
CID 91911877
1-{3-[(4-isopropyl-4H-1,2,4-triazol-3-yl)methyl]piperidino}-3-methyl-1-butanone
CID 91924099
2-Cyclohexyl-1-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-1-yl]ethanone
CID 110196053
Cyclohexyl-[3-[(4-ethyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-1-yl]methanone
CID 110196057
Cyclopentyl-[4-(3-cyclopropyl-1,2,4-triazol-4-yl)piperidin-1-yl]methanone
CID 110196072

Frequently Asked Questions

What is the IUPAC name of cyclopentyl-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-1-yl]methanone?
The IUPAC name of cyclopentyl-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-1-yl]methanone (CID 110196052) is cyclopentyl-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-1-yl]methanone.
What is the SMILES notation for cyclopentyl-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-1-yl]methanone?
The canonical SMILES for cyclopentyl-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-1-yl]methanone is Cn1cnnc1CC1CCN(C(=O)C2CCCC2)C1.
What is the InChIKey of cyclopentyl-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-1-yl]methanone?
The InChIKey is LPTALWXXFZMLQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-17-10-15-16-13(17)8-11-6-7-18(9-11)14(19)12-4-2-3-5-12/h10-12H,2-9H2,1H3.
What are the key properties of cyclopentyl-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-1-yl]methanone?
cyclopentyl-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-1-yl]methanone has a molecular weight of 262.36 g/mol, XLogP of 1.40, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 110196052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).