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

C9H17N5O — CID 43601589

IUPACN-[3-(ethylamino)propyl]-2-(1,2,4-triazol-1-yl)acetamide
SMILESCCNCCCNC(=O)Cn1cncn1
InChIInChI=1S/C9H17N5O/c1-2-10-4-3-5-12-9(15)6-14-8-11-7-13-14/h7-8,10H,2-6H2,1H3,(H,12,15)
InChIKeyKLVHRWRVBPFBRS-UHFFFAOYSA-N
MW211.27 g/mol
LogP-0.61
Rot. Bonds7

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

N-[3-(ethylamino)propyl]-2-(1,2,4-triazol-1-yl)acetamide (PubChem CID 43601589) has the molecular formula C9H17N5O and a molecular weight of 211.27 g/mol. Its IUPAC name is N-[3-(ethylamino)propyl]-2-(1,2,4-triazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[3-(ethylamino)propyl]-2-(1,2,4-triazol-1-yl)acetamide
PubChem CID43601589
Molecular FormulaC9H17N5O
Molecular Weight211.27 g/mol
Exact Mass211.14
IUPAC NameN-[3-(ethylamino)propyl]-2-(1,2,4-triazol-1-yl)acetamide
SMILESCCNCCCNC(=O)Cn1cncn1
InChIInChI=1S/C9H17N5O/c1-2-10-4-3-5-12-9(15)6-14-8-11-7-13-14/h7-8,10H,2-6H2,1H3,(H,12,15)
InChIKeyKLVHRWRVBPFBRS-UHFFFAOYSA-N
XLogP-0.61
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.27
LogP ≤ 5-0.61
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
N-(1-ethylpiperidin-4-yl)-2-[2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]acetamide
CID 53587759
N-(2-acetamidoethyl)-2-[3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]acetamide
CID 56802650
4-acetyl-N-[3-(1,2,4-triazol-1-yl)propyl]-1,4-diazepane-1-carboxamide
CID 71893357
N-[2-(azepan-1-yl)ethyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 71897383
N-[2-(4-methylpiperazin-1-yl)ethyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 71898049
N-(2-acetamidoethyl)-2-[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]acetamide
CID 72043970

Frequently Asked Questions

What is the IUPAC name of N-[3-(ethylamino)propyl]-2-(1,2,4-triazol-1-yl)acetamide?
The IUPAC name of N-[3-(ethylamino)propyl]-2-(1,2,4-triazol-1-yl)acetamide (CID 43601589) is N-[3-(ethylamino)propyl]-2-(1,2,4-triazol-1-yl)acetamide.
What is the SMILES notation for N-[3-(ethylamino)propyl]-2-(1,2,4-triazol-1-yl)acetamide?
The canonical SMILES for N-[3-(ethylamino)propyl]-2-(1,2,4-triazol-1-yl)acetamide is CCNCCCNC(=O)Cn1cncn1.
What is the InChIKey of N-[3-(ethylamino)propyl]-2-(1,2,4-triazol-1-yl)acetamide?
The InChIKey is KLVHRWRVBPFBRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5O/c1-2-10-4-3-5-12-9(15)6-14-8-11-7-13-14/h7-8,10H,2-6H2,1H3,(H,12,15).
What are the key properties of N-[3-(ethylamino)propyl]-2-(1,2,4-triazol-1-yl)acetamide?
N-[3-(ethylamino)propyl]-2-(1,2,4-triazol-1-yl)acetamide has a molecular weight of 211.27 g/mol, XLogP of -0.61, 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)acetamide is sourced from PubChem (CID 43601589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).