4-[4-[5-(1,2,4-triazol-1-yl)pyrazin-2-yl]oxycyclohexyl]oxypiperidine-1-carbonitrile

C18H23N7O2 — CID 87405471

IUPAC4-[4-[5-(1,2,4-triazol-1-yl)pyrazin-2-yl]oxycyclohexyl]oxypiperidine-1-carbonitrile
SMILESN#CN1CCC(OC2CCC(Oc3cnc(-n4cncn4)cn3)CC2)CC1
InChIInChI=1S/C18H23N7O2/c19-11-24-7-5-16(6-8-24)26-14-1-3-15(4-2-14)27-18-10-21-17(9-22-18)25-13-20-12-23-25/h9-10,12-16H,1-8H2
InChIKeyUKKSHTRXLZJRJU-UHFFFAOYSA-N
MW369.43 g/mol
LogP1.71
Rot. Bonds5

About 4-[4-[5-(1,2,4-triazol-1-yl)pyrazin-2-yl]oxycyclohexyl]oxypiperidine-1-carbonitrile

4-[4-[5-(1,2,4-triazol-1-yl)pyrazin-2-yl]oxycyclohexyl]oxypiperidine-1-carbonitrile (PubChem CID 87405471) has the molecular formula C18H23N7O2 and a molecular weight of 369.43 g/mol. Its IUPAC name is 4-[4-[5-(1,2,4-triazol-1-yl)pyrazin-2-yl]oxycyclohexyl]oxypiperidine-1-carbonitrile.

Molecular Properties

Compound Name4-[4-[5-(1,2,4-triazol-1-yl)pyrazin-2-yl]oxycyclohexyl]oxypiperidine-1-carbonitrile
PubChem CID87405471
Molecular FormulaC18H23N7O2
Molecular Weight369.43 g/mol
Exact Mass369.19
IUPAC Name4-[4-[5-(1,2,4-triazol-1-yl)pyrazin-2-yl]oxycyclohexyl]oxypiperidine-1-carbonitrile
SMILESN#CN1CCC(OC2CCC(Oc3cnc(-n4cncn4)cn3)CC2)CC1
InChIInChI=1S/C18H23N7O2/c19-11-24-7-5-16(6-8-24)26-14-1-3-15(4-2-14)27-18-10-21-17(9-22-18)25-13-20-12-23-25/h9-10,12-16H,1-8H2
InChIKeyUKKSHTRXLZJRJU-UHFFFAOYSA-N
XLogP1.71
TPSA101.98 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.43
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}

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Related Compounds

N'-hydroxy-4-[4-[5-(1,2,4-triazol-1-yl)pyrazin-2-yl]oxycyclohexyl]oxypiperidine-1-carboximidamide
CID 123984404
4-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]oxycyclohexan-1-one
CID 123757404
2-bromo-5-[4-(1-methylpiperidin-4-yl)oxycyclohexyl]oxypyrazine
CID 89388695
2-chloro-5-(1,2,4-triazol-1-yl)pyrazine
CID 77231195
N-cyclopropyl-6-(1,2,4-triazol-1-yl)pyrimidin-4-amine
CID 155941701
N'-hydroxy-4-[4-(5-methylsulfonylpyrazin-2-yl)oxycyclohexyl]oxypiperidine-1-carboximidamide
CID 89388683
6-[4-(6-methylpyrazin-2-yl)oxypiperidin-1-yl]pyridine-3-carbonitrile
CID 171701933
6-[1-(hydroxymethyl)piperidin-4-yl]oxypyridine-3-carbonitrile
CID 71063615
6-(4-piperidin-4-yloxypiperidin-1-yl)pyridine-3-carbonitrile
CID 69354590
1,3-difluoropropan-2-yl 4-[4-(5-methylsulfonylpyrazin-2-yl)oxycyclohexyl]oxypiperidine-1-carboxylate
CID 53491780
1-(4-cyclohexyloxyphenyl)-1,2,4-triazole
CID 86214626
4-[4-[(5-methylsulfonyl-2-pyridinyl)oxy]cyclohexyl]oxypiperidine-1-carboxylic acid
CID 71224944

Frequently Asked Questions

What is the IUPAC name of 4-[4-[5-(1,2,4-triazol-1-yl)pyrazin-2-yl]oxycyclohexyl]oxypiperidine-1-carbonitrile?
The IUPAC name of 4-[4-[5-(1,2,4-triazol-1-yl)pyrazin-2-yl]oxycyclohexyl]oxypiperidine-1-carbonitrile (CID 87405471) is 4-[4-[5-(1,2,4-triazol-1-yl)pyrazin-2-yl]oxycyclohexyl]oxypiperidine-1-carbonitrile.
What is the SMILES notation for 4-[4-[5-(1,2,4-triazol-1-yl)pyrazin-2-yl]oxycyclohexyl]oxypiperidine-1-carbonitrile?
The canonical SMILES for 4-[4-[5-(1,2,4-triazol-1-yl)pyrazin-2-yl]oxycyclohexyl]oxypiperidine-1-carbonitrile is N#CN1CCC(OC2CCC(Oc3cnc(-n4cncn4)cn3)CC2)CC1.
What is the InChIKey of 4-[4-[5-(1,2,4-triazol-1-yl)pyrazin-2-yl]oxycyclohexyl]oxypiperidine-1-carbonitrile?
The InChIKey is UKKSHTRXLZJRJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N7O2/c19-11-24-7-5-16(6-8-24)26-14-1-3-15(4-2-14)27-18-10-21-17(9-22-18)25-13-20-12-23-25/h9-10,12-16H,1-8H2.
What are the key properties of 4-[4-[5-(1,2,4-triazol-1-yl)pyrazin-2-yl]oxycyclohexyl]oxypiperidine-1-carbonitrile?
4-[4-[5-(1,2,4-triazol-1-yl)pyrazin-2-yl]oxycyclohexyl]oxypiperidine-1-carbonitrile has a molecular weight of 369.43 g/mol, XLogP of 1.71, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[5-(1,2,4-triazol-1-yl)pyrazin-2-yl]oxycyclohexyl]oxypiperidine-1-carbonitrile is sourced from PubChem (CID 87405471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).