N-[3-(methylamino)propyl]-2-(1,2,4-triazol-1-yl)acetamide

C8H15N5O — CID 43600686

IUPACN-[3-(methylamino)propyl]-2-(1,2,4-triazol-1-yl)acetamide
SMILESCNCCCNC(=O)Cn1cncn1
InChIInChI=1S/C8H15N5O/c1-9-3-2-4-11-8(14)5-13-7-10-6-12-13/h6-7,9H,2-5H2,1H3,(H,11,14)
InChIKeyBJZMZLUQIYQDJC-UHFFFAOYSA-N
MW197.24 g/mol
LogP-1.00
Rot. Bonds6

About N-[3-(methylamino)propyl]-2-(1,2,4-triazol-1-yl)acetamide

N-[3-(methylamino)propyl]-2-(1,2,4-triazol-1-yl)acetamide (PubChem CID 43600686) has the molecular formula C8H15N5O and a molecular weight of 197.24 g/mol. Its IUPAC name is N-[3-(methylamino)propyl]-2-(1,2,4-triazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[3-(methylamino)propyl]-2-(1,2,4-triazol-1-yl)acetamide
PubChem CID43600686
Molecular FormulaC8H15N5O
Molecular Weight197.24 g/mol
Exact Mass197.13
IUPAC NameN-[3-(methylamino)propyl]-2-(1,2,4-triazol-1-yl)acetamide
SMILESCNCCCNC(=O)Cn1cncn1
InChIInChI=1S/C8H15N5O/c1-9-3-2-4-11-8(14)5-13-7-10-6-12-13/h6-7,9H,2-5H2,1H3,(H,11,14)
InChIKeyBJZMZLUQIYQDJC-UHFFFAOYSA-N
XLogP-1.00
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 5-1.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(3-Nitro-[1,2,4]triazol-1-yl)-N-propyl-acetamide
CID 3104817
N-butyl-2-(3-nitro-1H-1,2,4-triazol-1-yl)acetamide
CID 3104818
N-(2-piperidin-1-ylethyl)-2-(1,2,4-triazol-1-yl)propanamide
CID 45893430
2,2-dimethyl-N-[3-(1,2,4-triazol-1-yl)propyl]propanamide
CID 47029800
3-methyl-N-[3-(1,2,4-triazol-1-yl)propyl]butanamide
CID 47029801
3,3-dimethyl-N-[3-(1,2,4-triazol-1-yl)propyl]butanamide
CID 47029802
4-acetyl-N-[3-(1,2,4-triazol-1-yl)propyl]-1,4-diazepane-1-carboxamide
CID 71893357
N-[2-(4-methylpiperazin-1-yl)ethyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 71898049
N-cycloheptyl-2-(1,2,4-triazol-1-yl)acetamide
CID 39903772
N-propan-2-yl-2-(1,2,4-triazol-1-yl)propanamide
CID 42947749
N-(3-methylbutyl)-3-(1,2,4-triazol-1-yl)propanamide
CID 47018788
N-butan-2-yl-2-[[2-(1,2,4-triazol-1-yl)acetyl]amino]acetamide
CID 47839833

Frequently Asked Questions

What is the IUPAC name of N-[3-(methylamino)propyl]-2-(1,2,4-triazol-1-yl)acetamide?
The IUPAC name of N-[3-(methylamino)propyl]-2-(1,2,4-triazol-1-yl)acetamide (CID 43600686) is N-[3-(methylamino)propyl]-2-(1,2,4-triazol-1-yl)acetamide.
What is the SMILES notation for N-[3-(methylamino)propyl]-2-(1,2,4-triazol-1-yl)acetamide?
The canonical SMILES for N-[3-(methylamino)propyl]-2-(1,2,4-triazol-1-yl)acetamide is CNCCCNC(=O)Cn1cncn1.
What is the InChIKey of N-[3-(methylamino)propyl]-2-(1,2,4-triazol-1-yl)acetamide?
The InChIKey is BJZMZLUQIYQDJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N5O/c1-9-3-2-4-11-8(14)5-13-7-10-6-12-13/h6-7,9H,2-5H2,1H3,(H,11,14).
What are the key properties of N-[3-(methylamino)propyl]-2-(1,2,4-triazol-1-yl)acetamide?
N-[3-(methylamino)propyl]-2-(1,2,4-triazol-1-yl)acetamide has a molecular weight of 197.24 g/mol, XLogP of -1.00, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(methylamino)propyl]-2-(1,2,4-triazol-1-yl)acetamide is sourced from PubChem (CID 43600686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).