2-amino-3-[2-(triazol-1-yl)ethylamino]propanamide

C7H14N6O — CID 103263505

IUPAC2-amino-3-[2-(triazol-1-yl)ethylamino]propanamide
SMILESNC(=O)C(N)CNCCn1ccnn1
InChIInChI=1S/C7H14N6O/c8-6(7(9)14)5-10-1-3-13-4-2-11-12-13/h2,4,6,10H,1,3,5,8H2,(H2,9,14)
InChIKeyWFEXZKRVKBZKTC-UHFFFAOYSA-N
MW198.23 g/mol
LogP-2.32
Rot. Bonds6

About 2-amino-3-[2-(triazol-1-yl)ethylamino]propanamide

2-amino-3-[2-(triazol-1-yl)ethylamino]propanamide (PubChem CID 103263505) has the molecular formula C7H14N6O and a molecular weight of 198.23 g/mol. Its IUPAC name is 2-amino-3-[2-(triazol-1-yl)ethylamino]propanamide.

Molecular Properties

Compound Name2-amino-3-[2-(triazol-1-yl)ethylamino]propanamide
PubChem CID103263505
Molecular FormulaC7H14N6O
Molecular Weight198.23 g/mol
Exact Mass198.12
IUPAC Name2-amino-3-[2-(triazol-1-yl)ethylamino]propanamide
SMILESNC(=O)C(N)CNCCn1ccnn1
InChIInChI=1S/C7H14N6O/c8-6(7(9)14)5-10-1-3-13-4-2-11-12-13/h2,4,6,10H,1,3,5,8H2,(H2,9,14)
InChIKeyWFEXZKRVKBZKTC-UHFFFAOYSA-N
XLogP-2.32
TPSA111.85 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.23
LogP ≤ 5-2.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-hydroxy-4-[2-(triazol-1-yl)ethylamino]butanoic acid
CID 103263516
(2R)-2-amino-4-methyl-N-[2-(triazol-1-yl)ethyl]pentanamide
CID 104903965
1-cyclopentyl-3-[2-(triazol-1-yl)ethylamino]propan-2-ol
CID 103158278
(2R)-1-[3-(triazol-1-yl)propylamino]propan-2-ol
CID 106932503
(2S)-2-amino-N-[3-(triazol-1-yl)propyl]hexanamide
CID 107146486
1-[4-(triazol-1-yl)butyl]triazole
CID 90925029
4,4-dimethyl-2-[[2-(triazol-1-yl)ethylcarbamoylamino]methyl]pentanoic acid
CID 107474623
(2R)-2-amino-4-methylsulfanyl-N-[3-(triazol-1-yl)propyl]butanamide
CID 104909015
2-phenyl-3-[2-(triazol-1-yl)ethylamino]propanenitrile
CID 113412677
N-(3-methylbutan-2-yl)-2-[3-(triazol-1-yl)propylamino]acetamide
CID 113412705
2-propan-2-yl-N'-[3-(triazol-1-yl)propyl]propane-1,3-diamine
CID 107442688
N-[3-(ethylamino)propyl]-3-(triazol-1-yl)propanamide
CID 43601596

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[2-(triazol-1-yl)ethylamino]propanamide?
The IUPAC name of 2-amino-3-[2-(triazol-1-yl)ethylamino]propanamide (CID 103263505) is 2-amino-3-[2-(triazol-1-yl)ethylamino]propanamide.
What is the SMILES notation for 2-amino-3-[2-(triazol-1-yl)ethylamino]propanamide?
The canonical SMILES for 2-amino-3-[2-(triazol-1-yl)ethylamino]propanamide is NC(=O)C(N)CNCCn1ccnn1.
What is the InChIKey of 2-amino-3-[2-(triazol-1-yl)ethylamino]propanamide?
The InChIKey is WFEXZKRVKBZKTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N6O/c8-6(7(9)14)5-10-1-3-13-4-2-11-12-13/h2,4,6,10H,1,3,5,8H2,(H2,9,14).
What are the key properties of 2-amino-3-[2-(triazol-1-yl)ethylamino]propanamide?
2-amino-3-[2-(triazol-1-yl)ethylamino]propanamide has a molecular weight of 198.23 g/mol, XLogP of -2.32, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[2-(triazol-1-yl)ethylamino]propanamide is sourced from PubChem (CID 103263505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).