2-(4-formyltriazol-1-yl)-N-(6-methylheptan-2-yl)acetamide

C13H22N4O2 — CID 66213794

IUPAC2-(4-formyltriazol-1-yl)-N-(6-methylheptan-2-yl)acetamide
SMILESCC(C)CCCC(C)NC(=O)Cn1cc(C=O)nn1
InChIInChI=1S/C13H22N4O2/c1-10(2)5-4-6-11(3)14-13(19)8-17-7-12(9-18)15-16-17/h7,9-11H,4-6,8H2,1-3H3,(H,14,19)
InChIKeyPGYIUTLKESKXGD-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.42
Rot. Bonds8

About 2-(4-formyltriazol-1-yl)-N-(6-methylheptan-2-yl)acetamide

2-(4-formyltriazol-1-yl)-N-(6-methylheptan-2-yl)acetamide (PubChem CID 66213794) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is 2-(4-formyltriazol-1-yl)-N-(6-methylheptan-2-yl)acetamide.

Molecular Properties

Compound Name2-(4-formyltriazol-1-yl)-N-(6-methylheptan-2-yl)acetamide
PubChem CID66213794
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC Name2-(4-formyltriazol-1-yl)-N-(6-methylheptan-2-yl)acetamide
SMILESCC(C)CCCC(C)NC(=O)Cn1cc(C=O)nn1
InChIInChI=1S/C13H22N4O2/c1-10(2)5-4-6-11(3)14-13(19)8-17-7-12(9-18)15-16-17/h7,9-11H,4-6,8H2,1-3H3,(H,14,19)
InChIKeyPGYIUTLKESKXGD-UHFFFAOYSA-N
XLogP1.42
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.42
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

2-[4-(methylaminomethyl)triazol-1-yl]-N-(6-methylheptan-2-yl)acetamide
CID 66194455
2-(4-formyltriazol-1-yl)-N-(3-methylbutylcarbamoyl)acetamide
CID 66213760
2-(4-formyltriazol-1-yl)-N-(propan-2-ylcarbamoyl)acetamide
CID 66214600
N-carbamoyl-2-(4-formyltriazol-1-yl)acetamide
CID 66214589
2-[4-(1-aminoethyl)triazol-1-yl]-N-(5-methylhexan-2-yl)acetamide
CID 114419810
2-[4-(4-aminobutyl)triazol-1-yl]-N-(5-methylhexan-2-yl)acetamide
CID 106209480
2-(4-formyltriazol-1-yl)-N-(4-methylphenyl)acetamide
CID 66215783
2-(4-formyltriazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 66215009
2-[4-(methylaminomethyl)triazol-1-yl]-N-pentan-2-ylacetamide
CID 66192119
methyl 1-[2-(heptan-2-ylamino)-2-oxoethyl]triazole-4-carboxylate
CID 103720880
2-(4-formyltriazol-1-yl)-N-(3-methoxyphenyl)acetamide
CID 66214781
N-cycloheptyl-2-(4-formyltriazol-1-yl)acetamide
CID 66215796

Frequently Asked Questions

What is the IUPAC name of 2-(4-formyltriazol-1-yl)-N-(6-methylheptan-2-yl)acetamide?
The IUPAC name of 2-(4-formyltriazol-1-yl)-N-(6-methylheptan-2-yl)acetamide (CID 66213794) is 2-(4-formyltriazol-1-yl)-N-(6-methylheptan-2-yl)acetamide.
What is the SMILES notation for 2-(4-formyltriazol-1-yl)-N-(6-methylheptan-2-yl)acetamide?
The canonical SMILES for 2-(4-formyltriazol-1-yl)-N-(6-methylheptan-2-yl)acetamide is CC(C)CCCC(C)NC(=O)Cn1cc(C=O)nn1.
What is the InChIKey of 2-(4-formyltriazol-1-yl)-N-(6-methylheptan-2-yl)acetamide?
The InChIKey is PGYIUTLKESKXGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-10(2)5-4-6-11(3)14-13(19)8-17-7-12(9-18)15-16-17/h7,9-11H,4-6,8H2,1-3H3,(H,14,19).
What are the key properties of 2-(4-formyltriazol-1-yl)-N-(6-methylheptan-2-yl)acetamide?
2-(4-formyltriazol-1-yl)-N-(6-methylheptan-2-yl)acetamide has a molecular weight of 266.34 g/mol, XLogP of 1.42, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-formyltriazol-1-yl)-N-(6-methylheptan-2-yl)acetamide is sourced from PubChem (CID 66213794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).