N-[3-(ethylamino)propyl]-2-(1,2,4-triazol-1-yl)propanamide

C10H19N5O — CID 43601595

IUPACN-[3-(ethylamino)propyl]-2-(1,2,4-triazol-1-yl)propanamide
SMILESCCNCCCNC(=O)C(C)n1cncn1
InChIInChI=1S/C10H19N5O/c1-3-11-5-4-6-13-10(16)9(2)15-8-12-7-14-15/h7-9,11H,3-6H2,1-2H3,(H,13,16)
InChIKeyGYRPXVFMJHPARE-UHFFFAOYSA-N
MW225.30 g/mol
LogP-0.05
Rot. Bonds7

About N-[3-(ethylamino)propyl]-2-(1,2,4-triazol-1-yl)propanamide

N-[3-(ethylamino)propyl]-2-(1,2,4-triazol-1-yl)propanamide (PubChem CID 43601595) has the molecular formula C10H19N5O and a molecular weight of 225.30 g/mol. Its IUPAC name is N-[3-(ethylamino)propyl]-2-(1,2,4-triazol-1-yl)propanamide.

Molecular Properties

Compound NameN-[3-(ethylamino)propyl]-2-(1,2,4-triazol-1-yl)propanamide
PubChem CID43601595
Molecular FormulaC10H19N5O
Molecular Weight225.30 g/mol
Exact Mass225.16
IUPAC NameN-[3-(ethylamino)propyl]-2-(1,2,4-triazol-1-yl)propanamide
SMILESCCNCCCNC(=O)C(C)n1cncn1
InChIInChI=1S/C10H19N5O/c1-3-11-5-4-6-13-10(16)9(2)15-8-12-7-14-15/h7-9,11H,3-6H2,1-2H3,(H,13,16)
InChIKeyGYRPXVFMJHPARE-UHFFFAOYSA-N
XLogP-0.05
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.30
LogP ≤ 5-0.05
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-(Methylaminooxalyl-amino)-3-[1,2,4]triazol-1-yl-propyl]-phosphonic acid
CID 44305058
N-[2-(4-methylpiperidin-1-yl)ethyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 45823979
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
1-(4-Propan-2-ylpiperazin-1-yl)-2-(1,2,4-triazol-1-yl)propan-1-one
CID 53500648
N-[3-(2-oxoazepan-1-yl)propyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 53504334
1-(4-Acetyl-1,4-diazepan-1-yl)-2-(1,2,4-triazol-1-yl)propan-1-one
CID 53517310
N-(3-morpholin-4-ylpropyl)-2-(1,2,4-triazol-1-yl)propanamide
CID 53518710
N-(2-morpholin-4-ylethyl)-2-(1,2,4-triazol-1-yl)propanamide
CID 53522715
1-(4-Acetylpiperazin-1-yl)-2-(1,2,4-triazol-1-yl)propan-1-one
CID 53525550

Frequently Asked Questions

What is the IUPAC name of N-[3-(ethylamino)propyl]-2-(1,2,4-triazol-1-yl)propanamide?
The IUPAC name of N-[3-(ethylamino)propyl]-2-(1,2,4-triazol-1-yl)propanamide (CID 43601595) is N-[3-(ethylamino)propyl]-2-(1,2,4-triazol-1-yl)propanamide.
What is the SMILES notation for N-[3-(ethylamino)propyl]-2-(1,2,4-triazol-1-yl)propanamide?
The canonical SMILES for N-[3-(ethylamino)propyl]-2-(1,2,4-triazol-1-yl)propanamide is CCNCCCNC(=O)C(C)n1cncn1.
What is the InChIKey of N-[3-(ethylamino)propyl]-2-(1,2,4-triazol-1-yl)propanamide?
The InChIKey is GYRPXVFMJHPARE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5O/c1-3-11-5-4-6-13-10(16)9(2)15-8-12-7-14-15/h7-9,11H,3-6H2,1-2H3,(H,13,16).
What are the key properties of N-[3-(ethylamino)propyl]-2-(1,2,4-triazol-1-yl)propanamide?
N-[3-(ethylamino)propyl]-2-(1,2,4-triazol-1-yl)propanamide has a molecular weight of 225.30 g/mol, XLogP of -0.05, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(ethylamino)propyl]-2-(1,2,4-triazol-1-yl)propanamide is sourced from PubChem (CID 43601595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).