cyclohexyl-[3-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone

C19H25N5O — CID 53192246

IUPACcyclohexyl-[3-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone
SMILESO=C(C1CCCCC1)N1CCCC(c2nc(-c3ccncc3)n[nH]2)C1
InChIInChI=1S/C19H25N5O/c25-19(15-5-2-1-3-6-15)24-12-4-7-16(13-24)18-21-17(22-23-18)14-8-10-20-11-9-14/h8-11,15-16H,1-7,12-13H2,(H,21,22,23)
InChIKeyPGPYMEAFJPJYBG-UHFFFAOYSA-N
MW339.44 g/mol
LogP3.15
Rot. Bonds3

About cyclohexyl-[3-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone

cyclohexyl-[3-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone (PubChem CID 53192246) has the molecular formula C19H25N5O and a molecular weight of 339.44 g/mol. Its IUPAC name is cyclohexyl-[3-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Namecyclohexyl-[3-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone
PubChem CID53192246
Molecular FormulaC19H25N5O
Molecular Weight339.44 g/mol
Exact Mass339.21
IUPAC Namecyclohexyl-[3-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone
SMILESO=C(C1CCCCC1)N1CCCC(c2nc(-c3ccncc3)n[nH]2)C1
InChIInChI=1S/C19H25N5O/c25-19(15-5-2-1-3-6-15)24-12-4-7-16(13-24)18-21-17(22-23-18)14-8-10-20-11-9-14/h8-11,15-16H,1-7,12-13H2,(H,21,22,23)
InChIKeyPGPYMEAFJPJYBG-UHFFFAOYSA-N
XLogP3.15
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-Benzyl-3-({[5-(Pyridin-4-Yl)-4h-1,2,4-Triazol-3-Yl]methyl}amino)benzamide
CID 11494718
Benzamide, N-[5-(4-pyridinyl)-1H-1,2,4-triazol-3-yl]-
CID 935059
1-(3-phenylpropanoyl)-3-(3-pyridinyl)-1H-1,2,4-triazol-5-amine
CID 971024
4-[3-(3-pyridinyl)-1H-1,2,4-triazol-5-yl]-4-azatricyclo[5.2.1.0~2,6~]dec-8-ene-3,5-dione
CID 2972795
1-(5-{[(4-fluorophenyl)methyl]amino}-3-(pyridin-3-yl)-1H-1,2,4-triazol-1-yl)-3-methylbutan-1-one
CID 3476108
[5-amino-3-(pyridin-3-yl)-1H-1,2,4-triazol-1-yl](phenyl)methanone
CID 3613559
1-[5-(Benzylamino)-3-pyridin-3-yl-1,2,4-triazol-1-yl]propan-1-one
CID 4686951
2-(2-Dodecyl-2H-tetrazol-5-yl)-2-phenyl-N-pyridin-2-yl-acetamide
CID 10114711
2-(2-Dodecyl-2H-tetrazol-5-yl)-N-(3-methyl-pyridin-2-yl)-2-phenyl-acetamide
CID 10298395
4,4-difluoro-N-[(1S)-3-[(1R,5S)-3-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl]-1-pyridin-3-ylpropyl]cyclohexane-1-carboxamide
CID 126567273
N-benzyl-3-[[3-(3-methyl-4-pyridinyl)-1H-1,2,4-triazol-5-yl]methylamino]benzamide
CID 137634374
N-benzyl-N-methyl-3-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methylamino]benzamide
CID 137634643

Frequently Asked Questions

What is the IUPAC name of cyclohexyl-[3-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone?
The IUPAC name of cyclohexyl-[3-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone (CID 53192246) is cyclohexyl-[3-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone.
What is the SMILES notation for cyclohexyl-[3-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone?
The canonical SMILES for cyclohexyl-[3-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone is O=C(C1CCCCC1)N1CCCC(c2nc(-c3ccncc3)n[nH]2)C1.
What is the InChIKey of cyclohexyl-[3-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone?
The InChIKey is PGPYMEAFJPJYBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O/c25-19(15-5-2-1-3-6-15)24-12-4-7-16(13-24)18-21-17(22-23-18)14-8-10-20-11-9-14/h8-11,15-16H,1-7,12-13H2,(H,21,22,23).
What are the key properties of cyclohexyl-[3-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone?
cyclohexyl-[3-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone has a molecular weight of 339.44 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-[3-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 53192246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).