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

C16H26N4O — CID 110196057

IUPACcyclohexyl-[3-[(4-ethyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-1-yl]methanone
SMILESCCn1cnnc1CC1CCN(C(=O)C2CCCCC2)C1
InChIInChI=1S/C16H26N4O/c1-2-19-12-17-18-15(19)10-13-8-9-20(11-13)16(21)14-6-4-3-5-7-14/h12-14H,2-11H2,1H3
InChIKeyGARKGTFCTIBMEI-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.27
Rot. Bonds4

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

cyclohexyl-[3-[(4-ethyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-1-yl]methanone (PubChem CID 110196057) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is cyclohexyl-[3-[(4-ethyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Namecyclohexyl-[3-[(4-ethyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-1-yl]methanone
PubChem CID110196057
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC Namecyclohexyl-[3-[(4-ethyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-1-yl]methanone
SMILESCCn1cnnc1CC1CCN(C(=O)C2CCCCC2)C1
InChIInChI=1S/C16H26N4O/c1-2-19-12-17-18-15(19)10-13-8-9-20(11-13)16(21)14-6-4-3-5-7-14/h12-14H,2-11H2,1H3
InChIKeyGARKGTFCTIBMEI-UHFFFAOYSA-N
XLogP2.27
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze cyclohexyl-[3-[(4-ethyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
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
3-Cyclopentyl-1-{2-[4-(cyclopropylmethyl)-4H-1,2,4-triazol-3-YL]piperidin-1-YL}propan-1-one
CID 87052156
2-Cyclopentyl-1-{2-[4-(cyclopropylmethyl)-4H-1,2,4-triazol-3-YL]piperidin-1-YL}ethan-1-one
CID 87052175
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
Cyclopentyl-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-1-yl]methanone
CID 110196052
2-Cyclohexyl-1-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-1-yl]ethanone
CID 110196053
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 cyclohexyl-[3-[(4-ethyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-1-yl]methanone?
The IUPAC name of cyclohexyl-[3-[(4-ethyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-1-yl]methanone (CID 110196057) is cyclohexyl-[3-[(4-ethyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-1-yl]methanone.
What is the SMILES notation for cyclohexyl-[3-[(4-ethyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-1-yl]methanone?
The canonical SMILES for cyclohexyl-[3-[(4-ethyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-1-yl]methanone is CCn1cnnc1CC1CCN(C(=O)C2CCCCC2)C1.
What is the InChIKey of cyclohexyl-[3-[(4-ethyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-1-yl]methanone?
The InChIKey is GARKGTFCTIBMEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O/c1-2-19-12-17-18-15(19)10-13-8-9-20(11-13)16(21)14-6-4-3-5-7-14/h12-14H,2-11H2,1H3.
What are the key properties of cyclohexyl-[3-[(4-ethyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-1-yl]methanone?
cyclohexyl-[3-[(4-ethyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-1-yl]methanone has a molecular weight of 290.41 g/mol, XLogP of 2.27, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-[3-[(4-ethyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 110196057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).