N-cyclohexyl-N'-(1,2,4-triazol-4-yl)oxamide

C10H15N5O2 — CID 108504364

IUPACN-cyclohexyl-N'-(1,2,4-triazol-4-yl)oxamide
SMILESO=C(NC1CCCCC1)C(=O)Nn1cnnc1
InChIInChI=1S/C10H15N5O2/c16-9(13-8-4-2-1-3-5-8)10(17)14-15-6-11-12-7-15/h6-8H,1-5H2,(H,13,16)(H,14,17)
InChIKeyHUSUHOPFCCHXKH-UHFFFAOYSA-N
MW237.26 g/mol
LogP-0.20
Rot. Bonds2

About N-cyclohexyl-N'-(1,2,4-triazol-4-yl)oxamide

N-cyclohexyl-N'-(1,2,4-triazol-4-yl)oxamide (PubChem CID 108504364) has the molecular formula C10H15N5O2 and a molecular weight of 237.26 g/mol. Its IUPAC name is N-cyclohexyl-N'-(1,2,4-triazol-4-yl)oxamide.

Molecular Properties

Compound NameN-cyclohexyl-N'-(1,2,4-triazol-4-yl)oxamide
PubChem CID108504364
Molecular FormulaC10H15N5O2
Molecular Weight237.26 g/mol
Exact Mass237.12
IUPAC NameN-cyclohexyl-N'-(1,2,4-triazol-4-yl)oxamide
SMILESO=C(NC1CCCCC1)C(=O)Nn1cnnc1
InChIInChI=1S/C10H15N5O2/c16-9(13-8-4-2-1-3-5-8)10(17)14-15-6-11-12-7-15/h6-8H,1-5H2,(H,13,16)(H,14,17)
InChIKeyHUSUHOPFCCHXKH-UHFFFAOYSA-N
XLogP-0.20
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 5-0.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N'-(1,2,4-triazol-4-yl)oxamide?
The IUPAC name of N-cyclohexyl-N'-(1,2,4-triazol-4-yl)oxamide (CID 108504364) is N-cyclohexyl-N'-(1,2,4-triazol-4-yl)oxamide.
What is the SMILES notation for N-cyclohexyl-N'-(1,2,4-triazol-4-yl)oxamide?
The canonical SMILES for N-cyclohexyl-N'-(1,2,4-triazol-4-yl)oxamide is O=C(NC1CCCCC1)C(=O)Nn1cnnc1.
What is the InChIKey of N-cyclohexyl-N'-(1,2,4-triazol-4-yl)oxamide?
The InChIKey is HUSUHOPFCCHXKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O2/c16-9(13-8-4-2-1-3-5-8)10(17)14-15-6-11-12-7-15/h6-8H,1-5H2,(H,13,16)(H,14,17).
What are the key properties of N-cyclohexyl-N'-(1,2,4-triazol-4-yl)oxamide?
N-cyclohexyl-N'-(1,2,4-triazol-4-yl)oxamide has a molecular weight of 237.26 g/mol, XLogP of -0.20, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N'-(1,2,4-triazol-4-yl)oxamide is sourced from PubChem (CID 108504364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).