N-[3-(ethylamino)propyl]-3-(triazol-1-yl)propanamide

C10H19N5O — CID 43601596

IUPACN-[3-(ethylamino)propyl]-3-(triazol-1-yl)propanamide
SMILESCCNCCCNC(=O)CCn1ccnn1
InChIInChI=1S/C10H19N5O/c1-2-11-5-3-6-12-10(16)4-8-15-9-7-13-14-15/h7,9,11H,2-6,8H2,1H3,(H,12,16)
InChIKeyYJBFACSLYHSDOG-UHFFFAOYSA-N
MW225.30 g/mol
LogP-0.22
Rot. Bonds8

About N-[3-(ethylamino)propyl]-3-(triazol-1-yl)propanamide

N-[3-(ethylamino)propyl]-3-(triazol-1-yl)propanamide (PubChem CID 43601596) has the molecular formula C10H19N5O and a molecular weight of 225.30 g/mol. Its IUPAC name is N-[3-(ethylamino)propyl]-3-(triazol-1-yl)propanamide.

Molecular Properties

Compound NameN-[3-(ethylamino)propyl]-3-(triazol-1-yl)propanamide
PubChem CID43601596
Molecular FormulaC10H19N5O
Molecular Weight225.30 g/mol
Exact Mass225.16
IUPAC NameN-[3-(ethylamino)propyl]-3-(triazol-1-yl)propanamide
SMILESCCNCCCNC(=O)CCn1ccnn1
InChIInChI=1S/C10H19N5O/c1-2-11-5-3-6-12-10(16)4-8-15-9-7-13-14-15/h7,9,11H,2-6,8H2,1H3,(H,12,16)
InChIKeyYJBFACSLYHSDOG-UHFFFAOYSA-N
XLogP-0.22
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.30
LogP ≤ 5-0.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[3-(ethylamino)propyl]-3-(triazol-1-yl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-5-[3-(triazol-1-yl)propanoylamino]pentanoic acid
CID 104682582
2-hydroxy-2-methyl-3-[3-(triazol-1-yl)propanoylamino]propanoic acid
CID 66173368
2,2-dimethyl-3-[3-(triazol-1-yl)propanoylamino]propanoic acid
CID 115427037
2-ethyl-N-[4-(triazol-1-yl)butyl]butanamide
CID 75453912
N-[2-methyl-3-(methylamino)propyl]-3-(triazol-1-yl)propanamide
CID 81479457
N-[2-(ethylaminomethyl)phenyl]-3-(triazol-1-yl)propanamide
CID 43601378
N-[2-(cycloheptylamino)ethyl]-3-(triazol-1-yl)propanamide
CID 81482627
2,2-diethyl-4-oxo-4-[2-(triazol-1-yl)ethylamino]butanoic acid
CID 113374875
N-[(2R)-1-hydroxybutan-2-yl]-3-(triazol-1-yl)propanamide
CID 103920188
N-(3-methylbutan-2-yl)-2-[3-(triazol-1-yl)propylamino]acetamide
CID 113412705
3-(benzenesulfonyl)-N-[3-(triazol-1-yl)propyl]propanamide
CID 91829405
5-[[2-(triazol-1-yl)acetyl]amino]pentanoic acid
CID 115348185

Frequently Asked Questions

What is the IUPAC name of N-[3-(ethylamino)propyl]-3-(triazol-1-yl)propanamide?
The IUPAC name of N-[3-(ethylamino)propyl]-3-(triazol-1-yl)propanamide (CID 43601596) is N-[3-(ethylamino)propyl]-3-(triazol-1-yl)propanamide.
What is the SMILES notation for N-[3-(ethylamino)propyl]-3-(triazol-1-yl)propanamide?
The canonical SMILES for N-[3-(ethylamino)propyl]-3-(triazol-1-yl)propanamide is CCNCCCNC(=O)CCn1ccnn1.
What is the InChIKey of N-[3-(ethylamino)propyl]-3-(triazol-1-yl)propanamide?
The InChIKey is YJBFACSLYHSDOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5O/c1-2-11-5-3-6-12-10(16)4-8-15-9-7-13-14-15/h7,9,11H,2-6,8H2,1H3,(H,12,16).
What are the key properties of N-[3-(ethylamino)propyl]-3-(triazol-1-yl)propanamide?
N-[3-(ethylamino)propyl]-3-(triazol-1-yl)propanamide has a molecular weight of 225.30 g/mol, XLogP of -0.22, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(ethylamino)propyl]-3-(triazol-1-yl)propanamide is sourced from PubChem (CID 43601596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).