2-amino-3-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]propanamide

C8H16N6O — CID 103251288

IUPAC2-amino-3-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]propanamide
SMILESCn1cnnc1CCNCC(N)C(N)=O
InChIInChI=1S/C8H16N6O/c1-14-5-12-13-7(14)2-3-11-4-6(9)8(10)15/h5-6,11H,2-4,9H2,1H3,(H2,10,15)
InChIKeyVTLCGXBSSGQUGO-UHFFFAOYSA-N
MW212.26 g/mol
LogP-2.24
Rot. Bonds6

About 2-amino-3-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]propanamide

2-amino-3-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]propanamide (PubChem CID 103251288) has the molecular formula C8H16N6O and a molecular weight of 212.26 g/mol. Its IUPAC name is 2-amino-3-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]propanamide.

Molecular Properties

Compound Name2-amino-3-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]propanamide
PubChem CID103251288
Molecular FormulaC8H16N6O
Molecular Weight212.26 g/mol
Exact Mass212.14
IUPAC Name2-amino-3-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]propanamide
SMILESCn1cnnc1CCNCC(N)C(N)=O
InChIInChI=1S/C8H16N6O/c1-14-5-12-13-7(14)2-3-11-4-6(9)8(10)15/h5-6,11H,2-4,9H2,1H3,(H2,10,15)
InChIKeyVTLCGXBSSGQUGO-UHFFFAOYSA-N
XLogP-2.24
TPSA111.85 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.26
LogP ≤ 5-2.24
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

(2R)-1-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]propan-2-ol
CID 106932117
ethyl 3-hydroxy-4-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]butanoate
CID 103251262
2-amino-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]butanediamide
CID 63330292
3-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]-2-phenylpropanoic acid
CID 64561158
2,2-dimethoxy-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]ethanamine
CID 63696017
1-methoxy-3-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]propan-2-ol
CID 63930079
N-methyl-3-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]propanamide
CID 63332608
methyl 2-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]propanoate
CID 63332871
ethyl 3-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]propanoate
CID 63332702
2-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]ethanesulfonamide
CID 114385025
N-(3-methylbutyl)-2-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]acetamide
CID 63332782
2-bromo-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]propanamide
CID 107905239

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]propanamide?
The IUPAC name of 2-amino-3-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]propanamide (CID 103251288) is 2-amino-3-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]propanamide.
What is the SMILES notation for 2-amino-3-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]propanamide?
The canonical SMILES for 2-amino-3-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]propanamide is Cn1cnnc1CCNCC(N)C(N)=O.
What is the InChIKey of 2-amino-3-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]propanamide?
The InChIKey is VTLCGXBSSGQUGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N6O/c1-14-5-12-13-7(14)2-3-11-4-6(9)8(10)15/h5-6,11H,2-4,9H2,1H3,(H2,10,15).
What are the key properties of 2-amino-3-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]propanamide?
2-amino-3-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]propanamide has a molecular weight of 212.26 g/mol, XLogP of -2.24, 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-(4-methyl-1,2,4-triazol-3-yl)ethylamino]propanamide is sourced from PubChem (CID 103251288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).