2-[4-(2-aminoethyl)triazol-1-yl]-N-methylpropanamide

C8H15N5O — CID 116642219

IUPAC2-[4-(2-aminoethyl)triazol-1-yl]-N-methylpropanamide
SMILESCNC(=O)C(C)n1cc(CCN)nn1
InChIInChI=1S/C8H15N5O/c1-6(8(14)10-2)13-5-7(3-4-9)11-12-13/h5-6H,3-4,9H2,1-2H3,(H,10,14)
InChIKeyGKVUMQKVNUPSOH-UHFFFAOYSA-N
MW197.24 g/mol
LogP-0.91
Rot. Bonds4

About 2-[4-(2-aminoethyl)triazol-1-yl]-N-methylpropanamide

2-[4-(2-aminoethyl)triazol-1-yl]-N-methylpropanamide (PubChem CID 116642219) has the molecular formula C8H15N5O and a molecular weight of 197.24 g/mol. Its IUPAC name is 2-[4-(2-aminoethyl)triazol-1-yl]-N-methylpropanamide.

Molecular Properties

Compound Name2-[4-(2-aminoethyl)triazol-1-yl]-N-methylpropanamide
PubChem CID116642219
Molecular FormulaC8H15N5O
Molecular Weight197.24 g/mol
Exact Mass197.13
IUPAC Name2-[4-(2-aminoethyl)triazol-1-yl]-N-methylpropanamide
SMILESCNC(=O)C(C)n1cc(CCN)nn1
InChIInChI=1S/C8H15N5O/c1-6(8(14)10-2)13-5-7(3-4-9)11-12-13/h5-6H,3-4,9H2,1-2H3,(H,10,14)
InChIKeyGKVUMQKVNUPSOH-UHFFFAOYSA-N
XLogP-0.91
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 5-0.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[4-(2-aminoethyl)triazol-1-yl]-N-methylpropanamide 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-[4-(ethylaminomethyl)triazol-1-yl]-N-methylpropanamide
CID 66194489
2-[4-[(tert-butylamino)methyl]triazol-1-yl]-N-methylpropanamide
CID 66192085
N-methyl-2-[4-[(2-methylpropylamino)methyl]triazol-1-yl]propanamide
CID 66194200
2-[4-(4-aminobutyl)triazol-1-yl]-N-butylpropanamide
CID 106209360
2-[4-(4-aminobutyl)triazol-1-yl]-N-(ethylcarbamoyl)propanamide
CID 106209559
2-[4-(2-hydroxyethyl)triazol-1-yl]propanamide
CID 62401695
2-[4-[(1S)-1-hydroxyethyl]triazol-1-yl]-N-methylpropanamide
CID 130567345
2-(4-formyltriazol-1-yl)-N-methylpropanamide
CID 66216391
2-[4-(methylaminomethyl)triazol-1-yl]-N-propan-2-ylpropanamide
CID 66214641
2-amino-3-[1-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]triazol-4-yl]propanoic acid
CID 116735018
2-[4-(hydroxymethyl)triazol-1-yl]-N-propylpropanamide
CID 62400159
2-[4-[[(2-aminoacetyl)amino]methyl]triazol-1-yl]-N-propylpropanamide
CID 114778173

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-aminoethyl)triazol-1-yl]-N-methylpropanamide?
The IUPAC name of 2-[4-(2-aminoethyl)triazol-1-yl]-N-methylpropanamide (CID 116642219) is 2-[4-(2-aminoethyl)triazol-1-yl]-N-methylpropanamide.
What is the SMILES notation for 2-[4-(2-aminoethyl)triazol-1-yl]-N-methylpropanamide?
The canonical SMILES for 2-[4-(2-aminoethyl)triazol-1-yl]-N-methylpropanamide is CNC(=O)C(C)n1cc(CCN)nn1.
What is the InChIKey of 2-[4-(2-aminoethyl)triazol-1-yl]-N-methylpropanamide?
The InChIKey is GKVUMQKVNUPSOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N5O/c1-6(8(14)10-2)13-5-7(3-4-9)11-12-13/h5-6H,3-4,9H2,1-2H3,(H,10,14).
What are the key properties of 2-[4-(2-aminoethyl)triazol-1-yl]-N-methylpropanamide?
2-[4-(2-aminoethyl)triazol-1-yl]-N-methylpropanamide has a molecular weight of 197.24 g/mol, XLogP of -0.91, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-aminoethyl)triazol-1-yl]-N-methylpropanamide is sourced from PubChem (CID 116642219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).