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

C19H25N5O — CID 53192473

IUPACcyclohexyl-[4-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone
SMILESO=C(C1CCCCC1)N1CCC(c2nc(-c3ccncc3)n[nH]2)CC1
InChIInChI=1S/C19H25N5O/c25-19(16-4-2-1-3-5-16)24-12-8-15(9-13-24)18-21-17(22-23-18)14-6-10-20-11-7-14/h6-7,10-11,15-16H,1-5,8-9,12-13H2,(H,21,22,23)
InChIKeyHRKZVVILNAKYDK-UHFFFAOYSA-N
MW339.44 g/mol
LogP3.15
Rot. Bonds3

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

cyclohexyl-[4-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone (PubChem CID 53192473) has the molecular formula C19H25N5O and a molecular weight of 339.44 g/mol. Its IUPAC name is cyclohexyl-[4-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Namecyclohexyl-[4-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone
PubChem CID53192473
Molecular FormulaC19H25N5O
Molecular Weight339.44 g/mol
Exact Mass339.21
IUPAC Namecyclohexyl-[4-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone
SMILESO=C(C1CCCCC1)N1CCC(c2nc(-c3ccncc3)n[nH]2)CC1
InChIInChI=1S/C19H25N5O/c25-19(16-4-2-1-3-5-16)24-12-8-15(9-13-24)18-21-17(22-23-18)14-6-10-20-11-7-14/h6-7,10-11,15-16H,1-5,8-9,12-13H2,(H,21,22,23)
InChIKeyHRKZVVILNAKYDK-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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Frequently Asked Questions

What is the IUPAC name of cyclohexyl-[4-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone?
The IUPAC name of cyclohexyl-[4-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone (CID 53192473) is cyclohexyl-[4-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone.
What is the SMILES notation for cyclohexyl-[4-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone?
The canonical SMILES for cyclohexyl-[4-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone is O=C(C1CCCCC1)N1CCC(c2nc(-c3ccncc3)n[nH]2)CC1.
What is the InChIKey of cyclohexyl-[4-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone?
The InChIKey is HRKZVVILNAKYDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O/c25-19(16-4-2-1-3-5-16)24-12-8-15(9-13-24)18-21-17(22-23-18)14-6-10-20-11-7-14/h6-7,10-11,15-16H,1-5,8-9,12-13H2,(H,21,22,23).
What are the key properties of cyclohexyl-[4-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone?
cyclohexyl-[4-(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-[4-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 53192473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).