N-(cyclohexylcarbamoyl)-2-(4-formyltriazol-1-yl)acetamide

C12H17N5O3 — CID 66216178

IUPACN-(cyclohexylcarbamoyl)-2-(4-formyltriazol-1-yl)acetamide
SMILESO=Cc1cn(CC(=O)NC(=O)NC2CCCCC2)nn1
InChIInChI=1S/C12H17N5O3/c18-8-10-6-17(16-15-10)7-11(19)14-12(20)13-9-4-2-1-3-5-9/h6,8-9H,1-5,7H2,(H2,13,14,19,20)
InChIKeyMIMPVRDYJRGWRW-UHFFFAOYSA-N
MW279.30 g/mol
LogP0.25
Rot. Bonds4

About N-(cyclohexylcarbamoyl)-2-(4-formyltriazol-1-yl)acetamide

N-(cyclohexylcarbamoyl)-2-(4-formyltriazol-1-yl)acetamide (PubChem CID 66216178) has the molecular formula C12H17N5O3 and a molecular weight of 279.30 g/mol. Its IUPAC name is N-(cyclohexylcarbamoyl)-2-(4-formyltriazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(cyclohexylcarbamoyl)-2-(4-formyltriazol-1-yl)acetamide
PubChem CID66216178
Molecular FormulaC12H17N5O3
Molecular Weight279.30 g/mol
Exact Mass279.13
IUPAC NameN-(cyclohexylcarbamoyl)-2-(4-formyltriazol-1-yl)acetamide
SMILESO=Cc1cn(CC(=O)NC(=O)NC2CCCCC2)nn1
InChIInChI=1S/C12H17N5O3/c18-8-10-6-17(16-15-10)7-11(19)14-12(20)13-9-4-2-1-3-5-9/h6,8-9H,1-5,7H2,(H2,13,14,19,20)
InChIKeyMIMPVRDYJRGWRW-UHFFFAOYSA-N
XLogP0.25
TPSA105.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-cycloheptyl-2-(4-formyltriazol-1-yl)acetamide
CID 66215796
N-cyclohexyl-3-(4-formyltriazol-1-yl)propanamide
CID 66215181
2-(4-formyltriazol-1-yl)-N-(propan-2-ylcarbamoyl)acetamide
CID 66214600
N-carbamoyl-2-(4-formyltriazol-1-yl)acetamide
CID 66214589
2-[4-(aminomethyl)triazol-1-yl]-N-cyclooctylacetamide
CID 115458881
1-[2-(cyclohexylamino)-2-oxoethyl]triazole-4-carboxylic acid
CID 55134032
2-[4-(aminomethyl)triazol-1-yl]-N-cycloheptylacetamide
CID 55029706
2-[4-(1-aminoethyl)triazol-1-yl]-N-cyclohexylacetamide
CID 114420022
N-(cyclohexylcarbamoyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide
CID 40529241
N-(cyclohexylcarbamoyl)-2-hydroxyacetamide
CID 16769602
2-(azepan-1-yl)-N-(cyclopentylcarbamoyl)acetamide
CID 8895713
2-[4-[(cycloheptylcarbamoylamino)methyl]triazol-1-yl]acetic acid
CID 115458494

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylcarbamoyl)-2-(4-formyltriazol-1-yl)acetamide?
The IUPAC name of N-(cyclohexylcarbamoyl)-2-(4-formyltriazol-1-yl)acetamide (CID 66216178) is N-(cyclohexylcarbamoyl)-2-(4-formyltriazol-1-yl)acetamide.
What is the SMILES notation for N-(cyclohexylcarbamoyl)-2-(4-formyltriazol-1-yl)acetamide?
The canonical SMILES for N-(cyclohexylcarbamoyl)-2-(4-formyltriazol-1-yl)acetamide is O=Cc1cn(CC(=O)NC(=O)NC2CCCCC2)nn1.
What is the InChIKey of N-(cyclohexylcarbamoyl)-2-(4-formyltriazol-1-yl)acetamide?
The InChIKey is MIMPVRDYJRGWRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O3/c18-8-10-6-17(16-15-10)7-11(19)14-12(20)13-9-4-2-1-3-5-9/h6,8-9H,1-5,7H2,(H2,13,14,19,20).
What are the key properties of N-(cyclohexylcarbamoyl)-2-(4-formyltriazol-1-yl)acetamide?
N-(cyclohexylcarbamoyl)-2-(4-formyltriazol-1-yl)acetamide has a molecular weight of 279.30 g/mol, XLogP of 0.25, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylcarbamoyl)-2-(4-formyltriazol-1-yl)acetamide is sourced from PubChem (CID 66216178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).