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

C6H7N5O3 — CID 66214589

IUPACN-carbamoyl-2-(4-formyltriazol-1-yl)acetamide
SMILESNC(=O)NC(=O)Cn1cc(C=O)nn1
InChIInChI=1S/C6H7N5O3/c7-6(14)8-5(13)2-11-1-4(3-12)9-10-11/h1,3H,2H2,(H3,7,8,13,14)
InChIKeyIEIKNULSYNNREW-UHFFFAOYSA-N
MW197.15 g/mol
LogP-1.71
Rot. Bonds3

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

N-carbamoyl-2-(4-formyltriazol-1-yl)acetamide (PubChem CID 66214589) has the molecular formula C6H7N5O3 and a molecular weight of 197.15 g/mol. Its IUPAC name is N-carbamoyl-2-(4-formyltriazol-1-yl)acetamide.

Molecular Properties

Compound NameN-carbamoyl-2-(4-formyltriazol-1-yl)acetamide
PubChem CID66214589
Molecular FormulaC6H7N5O3
Molecular Weight197.15 g/mol
Exact Mass197.05
IUPAC NameN-carbamoyl-2-(4-formyltriazol-1-yl)acetamide
SMILESNC(=O)NC(=O)Cn1cc(C=O)nn1
InChIInChI=1S/C6H7N5O3/c7-6(14)8-5(13)2-11-1-4(3-12)9-10-11/h1,3H,2H2,(H3,7,8,13,14)
InChIKeyIEIKNULSYNNREW-UHFFFAOYSA-N
XLogP-1.71
TPSA119.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.15
LogP ≤ 5-1.71
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

2-(4-formyltriazol-1-yl)-N-(propan-2-ylcarbamoyl)acetamide
CID 66214600
2-(4-formyltriazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 66215009
2-(4-formyltriazol-1-yl)-N-(3-methylbutylcarbamoyl)acetamide
CID 66213760
N-(cyclohexylcarbamoyl)-2-(4-formyltriazol-1-yl)acetamide
CID 66216178
N-cycloheptyl-2-(4-formyltriazol-1-yl)acetamide
CID 66215796
2-(4-formyltriazol-1-yl)-N-(4-methylphenyl)acetamide
CID 66215783
2-(4-formyltriazol-1-yl)-N-(6-methylheptan-2-yl)acetamide
CID 66213794
N-(3-bromophenyl)-2-(4-formyltriazol-1-yl)acetamide
CID 66216003
N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-(4-formyltriazol-1-yl)acetamide
CID 66214563
N-(2-chloro-4-methylphenyl)-2-(4-formyltriazol-1-yl)acetamide
CID 66215979
2-(4-formyltriazol-1-yl)-N-(3-methoxyphenyl)acetamide
CID 66214781
1-[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl]triazole-4-carbaldehyde
CID 66216578

Frequently Asked Questions

What is the IUPAC name of N-carbamoyl-2-(4-formyltriazol-1-yl)acetamide?
The IUPAC name of N-carbamoyl-2-(4-formyltriazol-1-yl)acetamide (CID 66214589) is N-carbamoyl-2-(4-formyltriazol-1-yl)acetamide.
What is the SMILES notation for N-carbamoyl-2-(4-formyltriazol-1-yl)acetamide?
The canonical SMILES for N-carbamoyl-2-(4-formyltriazol-1-yl)acetamide is NC(=O)NC(=O)Cn1cc(C=O)nn1.
What is the InChIKey of N-carbamoyl-2-(4-formyltriazol-1-yl)acetamide?
The InChIKey is IEIKNULSYNNREW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N5O3/c7-6(14)8-5(13)2-11-1-4(3-12)9-10-11/h1,3H,2H2,(H3,7,8,13,14).
What are the key properties of N-carbamoyl-2-(4-formyltriazol-1-yl)acetamide?
N-carbamoyl-2-(4-formyltriazol-1-yl)acetamide has a molecular weight of 197.15 g/mol, XLogP of -1.71, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-carbamoyl-2-(4-formyltriazol-1-yl)acetamide is sourced from PubChem (CID 66214589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).