N'-hydroxy-4-[4-[5-(1,2,4-triazol-1-yl)pyrazin-2-yl]oxycyclohexyl]oxypiperidine-1-carboximidamide

C18H26N8O3 — CID 123984404

IUPACN'-hydroxy-4-[4-[5-(1,2,4-triazol-1-yl)pyrazin-2-yl]oxycyclohexyl]oxypiperidine-1-carboximidamide
SMILESNC(=NO)N1CCC(OC2CCC(Oc3cnc(-n4cncn4)cn3)CC2)CC1
InChIInChI=1S/C18H26N8O3/c19-18(24-27)25-7-5-15(6-8-25)28-13-1-3-14(4-2-13)29-17-10-21-16(9-22-17)26-12-20-11-23-26/h9-15,27H,1-8H2,(H2,19,24)
InChIKeyRVEJBCGUBLYPPT-UHFFFAOYSA-N
MW402.46 g/mol
LogP0.93
Rot. Bonds5

About N'-hydroxy-4-[4-[5-(1,2,4-triazol-1-yl)pyrazin-2-yl]oxycyclohexyl]oxypiperidine-1-carboximidamide

N'-hydroxy-4-[4-[5-(1,2,4-triazol-1-yl)pyrazin-2-yl]oxycyclohexyl]oxypiperidine-1-carboximidamide (PubChem CID 123984404) has the molecular formula C18H26N8O3 and a molecular weight of 402.46 g/mol. Its IUPAC name is N'-hydroxy-4-[4-[5-(1,2,4-triazol-1-yl)pyrazin-2-yl]oxycyclohexyl]oxypiperidine-1-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-4-[4-[5-(1,2,4-triazol-1-yl)pyrazin-2-yl]oxycyclohexyl]oxypiperidine-1-carboximidamide
PubChem CID123984404
Molecular FormulaC18H26N8O3
Molecular Weight402.46 g/mol
Exact Mass402.21
IUPAC NameN'-hydroxy-4-[4-[5-(1,2,4-triazol-1-yl)pyrazin-2-yl]oxycyclohexyl]oxypiperidine-1-carboximidamide
SMILESNC(=NO)N1CCC(OC2CCC(Oc3cnc(-n4cncn4)cn3)CC2)CC1
InChIInChI=1S/C18H26N8O3/c19-18(24-27)25-7-5-15(6-8-25)28-13-1-3-14(4-2-13)29-17-10-21-16(9-22-17)26-12-20-11-23-26/h9-15,27H,1-8H2,(H2,19,24)
InChIKeyRVEJBCGUBLYPPT-UHFFFAOYSA-N
XLogP0.93
TPSA136.80 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.46
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N'-hydroxy-4-[4-[5-(1,2,4-triazol-1-yl)pyrazin-2-yl]oxycyclohexyl]oxypiperidine-1-carboximidamide 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

4-[4-[5-(1,2,4-triazol-1-yl)pyrazin-2-yl]oxycyclohexyl]oxypiperidine-1-carbonitrile
CID 87405471
N'-hydroxy-4-[4-(5-methylsulfonylpyrazin-2-yl)oxycyclohexyl]oxypiperidine-1-carboximidamide
CID 89388683
2-chloro-5-(1,2,4-triazol-1-yl)pyrazine
CID 77231195
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
4-ethoxy-N'-hydroxypiperidine-1-carboximidamide
CID 62481285
1-[1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]azetidine-3-carbonyl]piperidine-4-carboxamide
CID 121168325
N'-hydroxy-4-(methoxymethoxy)piperidine-1-carboximidamide
CID 58057767
1,3-difluoropropan-2-yl 4-[4-(5-methylsulfonylpyrazin-2-yl)oxycyclohexyl]oxypiperidine-1-carboxylate
CID 53491780
4-[4-[(5-methylsulfonyl-2-pyridinyl)oxy]cyclohexyl]oxypiperidine-1-carboxylic acid
CID 71224944
6-(1,2,4-triazol-1-yl)pyridine-3-carbothioamide
CID 2746789
4-methyl-N'-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]piperidine-1-carboximidamide
CID 110920726

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-4-[4-[5-(1,2,4-triazol-1-yl)pyrazin-2-yl]oxycyclohexyl]oxypiperidine-1-carboximidamide?
The IUPAC name of N'-hydroxy-4-[4-[5-(1,2,4-triazol-1-yl)pyrazin-2-yl]oxycyclohexyl]oxypiperidine-1-carboximidamide (CID 123984404) is N'-hydroxy-4-[4-[5-(1,2,4-triazol-1-yl)pyrazin-2-yl]oxycyclohexyl]oxypiperidine-1-carboximidamide.
What is the SMILES notation for N'-hydroxy-4-[4-[5-(1,2,4-triazol-1-yl)pyrazin-2-yl]oxycyclohexyl]oxypiperidine-1-carboximidamide?
The canonical SMILES for N'-hydroxy-4-[4-[5-(1,2,4-triazol-1-yl)pyrazin-2-yl]oxycyclohexyl]oxypiperidine-1-carboximidamide is NC(=NO)N1CCC(OC2CCC(Oc3cnc(-n4cncn4)cn3)CC2)CC1.
What is the InChIKey of N'-hydroxy-4-[4-[5-(1,2,4-triazol-1-yl)pyrazin-2-yl]oxycyclohexyl]oxypiperidine-1-carboximidamide?
The InChIKey is RVEJBCGUBLYPPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N8O3/c19-18(24-27)25-7-5-15(6-8-25)28-13-1-3-14(4-2-13)29-17-10-21-16(9-22-17)26-12-20-11-23-26/h9-15,27H,1-8H2,(H2,19,24).
What are the key properties of N'-hydroxy-4-[4-[5-(1,2,4-triazol-1-yl)pyrazin-2-yl]oxycyclohexyl]oxypiperidine-1-carboximidamide?
N'-hydroxy-4-[4-[5-(1,2,4-triazol-1-yl)pyrazin-2-yl]oxycyclohexyl]oxypiperidine-1-carboximidamide has a molecular weight of 402.46 g/mol, XLogP of 0.93, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-4-[4-[5-(1,2,4-triazol-1-yl)pyrazin-2-yl]oxycyclohexyl]oxypiperidine-1-carboximidamide is sourced from PubChem (CID 123984404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).