(2E)-2-hydroxyimino-N-methyl-2-[1-(1,2,4-triazol-1-yl)cyclohexyl]acetamide

C11H17N5O2 — CID 20522232

IUPAC(2E)-2-hydroxyimino-N-methyl-2-[1-(1,2,4-triazol-1-yl)cyclohexyl]acetamide
SMILESCNC(=O)/C(=N/O)C1(n2cncn2)CCCCC1
InChIInChI=1S/C11H17N5O2/c1-12-10(17)9(15-18)11(5-3-2-4-6-11)16-8-13-7-14-16/h7-8,18H,2-6H2,1H3,(H,12,17)/b15-9-
InChIKeyMNCQETSWVXRPBB-DHDCSXOGSA-N
MW251.29 g/mol
LogP0.51
Rot. Bonds3

About (2E)-2-hydroxyimino-N-methyl-2-[1-(1,2,4-triazol-1-yl)cyclohexyl]acetamide

(2E)-2-hydroxyimino-N-methyl-2-[1-(1,2,4-triazol-1-yl)cyclohexyl]acetamide (PubChem CID 20522232) has the molecular formula C11H17N5O2 and a molecular weight of 251.29 g/mol. Its IUPAC name is (2E)-2-hydroxyimino-N-methyl-2-[1-(1,2,4-triazol-1-yl)cyclohexyl]acetamide.

Molecular Properties

Compound Name(2E)-2-hydroxyimino-N-methyl-2-[1-(1,2,4-triazol-1-yl)cyclohexyl]acetamide
PubChem CID20522232
Molecular FormulaC11H17N5O2
Molecular Weight251.29 g/mol
Exact Mass251.14
IUPAC Name(2E)-2-hydroxyimino-N-methyl-2-[1-(1,2,4-triazol-1-yl)cyclohexyl]acetamide
SMILESCNC(=O)/C(=N/O)C1(n2cncn2)CCCCC1
InChIInChI=1S/C11H17N5O2/c1-12-10(17)9(15-18)11(5-3-2-4-6-11)16-8-13-7-14-16/h7-8,18H,2-6H2,1H3,(H,12,17)/b15-9-
InChIKeyMNCQETSWVXRPBB-DHDCSXOGSA-N
XLogP0.51
TPSA92.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2E)-2-hydroxyimino-N-methyl-2-[1-(1,2,4-triazol-1-yl)cyclohexyl]acetamide?
The IUPAC name of (2E)-2-hydroxyimino-N-methyl-2-[1-(1,2,4-triazol-1-yl)cyclohexyl]acetamide (CID 20522232) is (2E)-2-hydroxyimino-N-methyl-2-[1-(1,2,4-triazol-1-yl)cyclohexyl]acetamide.
What is the SMILES notation for (2E)-2-hydroxyimino-N-methyl-2-[1-(1,2,4-triazol-1-yl)cyclohexyl]acetamide?
The canonical SMILES for (2E)-2-hydroxyimino-N-methyl-2-[1-(1,2,4-triazol-1-yl)cyclohexyl]acetamide is CNC(=O)/C(=N/O)C1(n2cncn2)CCCCC1.
What is the InChIKey of (2E)-2-hydroxyimino-N-methyl-2-[1-(1,2,4-triazol-1-yl)cyclohexyl]acetamide?
The InChIKey is MNCQETSWVXRPBB-DHDCSXOGSA-N. The full InChI is InChI=1S/C11H17N5O2/c1-12-10(17)9(15-18)11(5-3-2-4-6-11)16-8-13-7-14-16/h7-8,18H,2-6H2,1H3,(H,12,17)/b15-9-.
What are the key properties of (2E)-2-hydroxyimino-N-methyl-2-[1-(1,2,4-triazol-1-yl)cyclohexyl]acetamide?
(2E)-2-hydroxyimino-N-methyl-2-[1-(1,2,4-triazol-1-yl)cyclohexyl]acetamide has a molecular weight of 251.29 g/mol, XLogP of 0.51, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-hydroxyimino-N-methyl-2-[1-(1,2,4-triazol-1-yl)cyclohexyl]acetamide is sourced from PubChem (CID 20522232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).