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

C16H26N4O — CID 110196053

IUPAC2-cyclohexyl-1-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-1-yl]ethanone
SMILESCn1cnnc1CC1CCN(C(=O)CC2CCCCC2)C1
InChIInChI=1S/C16H26N4O/c1-19-12-17-18-15(19)9-14-7-8-20(11-14)16(21)10-13-5-3-2-4-6-13/h12-14H,2-11H2,1H3
InChIKeyWBJWEAMLASRSEX-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.18
Rot. Bonds4

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

2-cyclohexyl-1-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-1-yl]ethanone (PubChem CID 110196053) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is 2-cyclohexyl-1-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-cyclohexyl-1-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-1-yl]ethanone
PubChem CID110196053
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC Name2-cyclohexyl-1-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-1-yl]ethanone
SMILESCn1cnnc1CC1CCN(C(=O)CC2CCCCC2)C1
InChIInChI=1S/C16H26N4O/c1-19-12-17-18-15(19)9-14-7-8-20(11-14)16(21)10-13-5-3-2-4-6-13/h12-14H,2-11H2,1H3
InChIKeyWBJWEAMLASRSEX-UHFFFAOYSA-N
XLogP2.18
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 ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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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
3-cyclohexyl-N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]propanamide
CID 53516626
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-cyclohexyl-1-[3-isopropyl-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl]-1-ethanone
CID 53193622
3-cyclopentyl-1-[3-isopropyl-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl]-1-propanone
CID 53193623
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-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

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-1-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-1-yl]ethanone?
The IUPAC name of 2-cyclohexyl-1-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-1-yl]ethanone (CID 110196053) is 2-cyclohexyl-1-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-cyclohexyl-1-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-cyclohexyl-1-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-1-yl]ethanone is Cn1cnnc1CC1CCN(C(=O)CC2CCCCC2)C1.
What is the InChIKey of 2-cyclohexyl-1-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-1-yl]ethanone?
The InChIKey is WBJWEAMLASRSEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O/c1-19-12-17-18-15(19)9-14-7-8-20(11-14)16(21)10-13-5-3-2-4-6-13/h12-14H,2-11H2,1H3.
What are the key properties of 2-cyclohexyl-1-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-1-yl]ethanone?
2-cyclohexyl-1-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-1-yl]ethanone has a molecular weight of 290.41 g/mol, XLogP of 2.18, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-1-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 110196053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).