N-methyl-2-[[2-(1,2,4-triazol-1-yl)acetyl]amino]propanamide

C8H13N5O2 — CID 56816928

IUPACN-methyl-2-[[2-(1,2,4-triazol-1-yl)acetyl]amino]propanamide
SMILESCNC(=O)C(C)NC(=O)Cn1cncn1
InChIInChI=1S/C8H13N5O2/c1-6(8(15)9-2)12-7(14)3-13-5-10-4-11-13/h4-6H,3H2,1-2H3,(H,9,15)(H,12,14)
InChIKeyTZUOKVMJKZQKRW-UHFFFAOYSA-N
MW211.22 g/mol
LogP-1.47
Rot. Bonds4

About N-methyl-2-[[2-(1,2,4-triazol-1-yl)acetyl]amino]propanamide

N-methyl-2-[[2-(1,2,4-triazol-1-yl)acetyl]amino]propanamide (PubChem CID 56816928) has the molecular formula C8H13N5O2 and a molecular weight of 211.22 g/mol. Its IUPAC name is N-methyl-2-[[2-(1,2,4-triazol-1-yl)acetyl]amino]propanamide.

Molecular Properties

Compound NameN-methyl-2-[[2-(1,2,4-triazol-1-yl)acetyl]amino]propanamide
PubChem CID56816928
Molecular FormulaC8H13N5O2
Molecular Weight211.22 g/mol
Exact Mass211.11
IUPAC NameN-methyl-2-[[2-(1,2,4-triazol-1-yl)acetyl]amino]propanamide
SMILESCNC(=O)C(C)NC(=O)Cn1cncn1
InChIInChI=1S/C8H13N5O2/c1-6(8(15)9-2)12-7(14)3-13-5-10-4-11-13/h4-6H,3H2,1-2H3,(H,9,15)(H,12,14)
InChIKeyTZUOKVMJKZQKRW-UHFFFAOYSA-N
XLogP-1.47
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 5-1.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[[2-(1,2,4-triazol-1-yl)acetyl]amino]propanamide?
The IUPAC name of N-methyl-2-[[2-(1,2,4-triazol-1-yl)acetyl]amino]propanamide (CID 56816928) is N-methyl-2-[[2-(1,2,4-triazol-1-yl)acetyl]amino]propanamide.
What is the SMILES notation for N-methyl-2-[[2-(1,2,4-triazol-1-yl)acetyl]amino]propanamide?
The canonical SMILES for N-methyl-2-[[2-(1,2,4-triazol-1-yl)acetyl]amino]propanamide is CNC(=O)C(C)NC(=O)Cn1cncn1.
What is the InChIKey of N-methyl-2-[[2-(1,2,4-triazol-1-yl)acetyl]amino]propanamide?
The InChIKey is TZUOKVMJKZQKRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N5O2/c1-6(8(15)9-2)12-7(14)3-13-5-10-4-11-13/h4-6H,3H2,1-2H3,(H,9,15)(H,12,14).
What are the key properties of N-methyl-2-[[2-(1,2,4-triazol-1-yl)acetyl]amino]propanamide?
N-methyl-2-[[2-(1,2,4-triazol-1-yl)acetyl]amino]propanamide has a molecular weight of 211.22 g/mol, XLogP of -1.47, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[[2-(1,2,4-triazol-1-yl)acetyl]amino]propanamide is sourced from PubChem (CID 56816928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).