3-[1-(2-amino-2-oxoethyl)triazol-4-yl]propanamide

C7H11N5O2 — CID 171936262

IUPAC3-[1-(2-amino-2-oxoethyl)triazol-4-yl]propanamide
SMILESNC(=O)CCc1cn(CC(N)=O)nn1
InChIInChI=1S/C7H11N5O2/c8-6(13)2-1-5-3-12(11-10-5)4-7(9)14/h3H,1-2,4H2,(H2,8,13)(H2,9,14)
InChIKeyRHBDLFIARMKOFC-UHFFFAOYSA-N
MW197.20 g/mol
LogP-1.82
Rot. Bonds5

About 3-[1-(2-amino-2-oxoethyl)triazol-4-yl]propanamide

3-[1-(2-amino-2-oxoethyl)triazol-4-yl]propanamide (PubChem CID 171936262) has the molecular formula C7H11N5O2 and a molecular weight of 197.20 g/mol. Its IUPAC name is 3-[1-(2-amino-2-oxoethyl)triazol-4-yl]propanamide.

Molecular Properties

Compound Name3-[1-(2-amino-2-oxoethyl)triazol-4-yl]propanamide
PubChem CID171936262
Molecular FormulaC7H11N5O2
Molecular Weight197.20 g/mol
Exact Mass197.09
IUPAC Name3-[1-(2-amino-2-oxoethyl)triazol-4-yl]propanamide
SMILESNC(=O)CCc1cn(CC(N)=O)nn1
InChIInChI=1S/C7H11N5O2/c8-6(13)2-1-5-3-12(11-10-5)4-7(9)14/h3H,1-2,4H2,(H2,8,13)(H2,9,14)
InChIKeyRHBDLFIARMKOFC-UHFFFAOYSA-N
XLogP-1.82
TPSA116.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.20
LogP ≤ 5-1.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-hydroxy-2-(4-pentyltriazol-1-yl)acetamide
CID 70684402
2-(4-Pentyltriazol-1-yl)acetamide
CID 70692869
(4R)-4-(4-isobutyl-1H-1,2,3-triazol-1-yl)-N-methyl-L-prolinamide
CID 56705454
2-[4-(3-Fluoropropyl)triazol-1-yl]acetamide
CID 70304467
3-[1-(2-Fluoroethyl)triazol-4-yl]propanal
CID 118200400
N-butyl-3-[1-(2-fluoroethyl)triazol-4-yl]propanamide
CID 126590542
3-[1-(2-fluoroethyl)triazol-4-yl]-N-pentylpropanamide
CID 126590625
5-[4-(3-fluoropropyl)triazol-1-yl]-N-methylpentanamide
CID 135189110
(1S,19S)-6,7,8,14,20,22-hexazatricyclo[17.2.2.06,10]tricosa-7,9-diene-13,21,23-trione
CID 134843398
3-[4-(3-(18F)fluoropropyl)triazol-1-yl]propanamide
CID 139212650
2-[4-(3-aminopropyl)triazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 106221773
(4R)-4-(4-butyl-1H-1,2,3-triazol-1-yl)-N-isopropyl-L-prolinamide
CID 56718609

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-amino-2-oxoethyl)triazol-4-yl]propanamide?
The IUPAC name of 3-[1-(2-amino-2-oxoethyl)triazol-4-yl]propanamide (CID 171936262) is 3-[1-(2-amino-2-oxoethyl)triazol-4-yl]propanamide.
What is the SMILES notation for 3-[1-(2-amino-2-oxoethyl)triazol-4-yl]propanamide?
The canonical SMILES for 3-[1-(2-amino-2-oxoethyl)triazol-4-yl]propanamide is NC(=O)CCc1cn(CC(N)=O)nn1.
What is the InChIKey of 3-[1-(2-amino-2-oxoethyl)triazol-4-yl]propanamide?
The InChIKey is RHBDLFIARMKOFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N5O2/c8-6(13)2-1-5-3-12(11-10-5)4-7(9)14/h3H,1-2,4H2,(H2,8,13)(H2,9,14).
What are the key properties of 3-[1-(2-amino-2-oxoethyl)triazol-4-yl]propanamide?
3-[1-(2-amino-2-oxoethyl)triazol-4-yl]propanamide has a molecular weight of 197.20 g/mol, XLogP of -1.82, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-amino-2-oxoethyl)triazol-4-yl]propanamide is sourced from PubChem (CID 171936262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).