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

C12H18N4O2 — CID 66215796

IUPACN-cycloheptyl-2-(4-formyltriazol-1-yl)acetamide
SMILESO=Cc1cn(CC(=O)NC2CCCCCC2)nn1
InChIInChI=1S/C12H18N4O2/c17-9-11-7-16(15-14-11)8-12(18)13-10-5-3-1-2-4-6-10/h7,9-10H,1-6,8H2,(H,13,18)
InChIKeyDXFAHAMGJDQJGI-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.93
Rot. Bonds4

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

N-cycloheptyl-2-(4-formyltriazol-1-yl)acetamide (PubChem CID 66215796) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is N-cycloheptyl-2-(4-formyltriazol-1-yl)acetamide.

Molecular Properties

Compound NameN-cycloheptyl-2-(4-formyltriazol-1-yl)acetamide
PubChem CID66215796
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC NameN-cycloheptyl-2-(4-formyltriazol-1-yl)acetamide
SMILESO=Cc1cn(CC(=O)NC2CCCCCC2)nn1
InChIInChI=1S/C12H18N4O2/c17-9-11-7-16(15-14-11)8-12(18)13-10-5-3-1-2-4-6-10/h7,9-10H,1-6,8H2,(H,13,18)
InChIKeyDXFAHAMGJDQJGI-UHFFFAOYSA-N
XLogP0.93
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(cyclohexylcarbamoyl)-2-(4-formyltriazol-1-yl)acetamide
CID 66216178
N-cyclohexyl-3-(4-formyltriazol-1-yl)propanamide
CID 66215181
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-carbamoyl-2-(4-formyltriazol-1-yl)acetamide
CID 66214589
2-[4-(1-aminopropyl)triazol-1-yl]-N-cyclohexylacetamide
CID 106227686
2-[4-(1-aminobutyl)triazol-1-yl]-N-cyclohexylacetamide
CID 106228975
2-(4-formyltriazol-1-yl)-N-(propan-2-ylcarbamoyl)acetamide
CID 66214600
N-cycloheptyl-2-[4-[(4-methylphenoxy)methyl]triazol-1-yl]acetamide
CID 138029887
N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-(4-formyltriazol-1-yl)acetamide
CID 66214563

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-2-(4-formyltriazol-1-yl)acetamide?
The IUPAC name of N-cycloheptyl-2-(4-formyltriazol-1-yl)acetamide (CID 66215796) is N-cycloheptyl-2-(4-formyltriazol-1-yl)acetamide.
What is the SMILES notation for N-cycloheptyl-2-(4-formyltriazol-1-yl)acetamide?
The canonical SMILES for N-cycloheptyl-2-(4-formyltriazol-1-yl)acetamide is O=Cc1cn(CC(=O)NC2CCCCCC2)nn1.
What is the InChIKey of N-cycloheptyl-2-(4-formyltriazol-1-yl)acetamide?
The InChIKey is DXFAHAMGJDQJGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2/c17-9-11-7-16(15-14-11)8-12(18)13-10-5-3-1-2-4-6-10/h7,9-10H,1-6,8H2,(H,13,18).
What are the key properties of N-cycloheptyl-2-(4-formyltriazol-1-yl)acetamide?
N-cycloheptyl-2-(4-formyltriazol-1-yl)acetamide has a molecular weight of 250.30 g/mol, XLogP of 0.93, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-2-(4-formyltriazol-1-yl)acetamide is sourced from PubChem (CID 66215796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).