2-[4-[[(2-aminoacetyl)amino]methyl]triazol-1-yl]-N-propylpropanamide

C11H20N6O2 — CID 114778173

IUPAC2-[4-[[(2-aminoacetyl)amino]methyl]triazol-1-yl]-N-propylpropanamide
SMILESCCCNC(=O)C(C)n1cc(CNC(=O)CN)nn1
InChIInChI=1S/C11H20N6O2/c1-3-4-13-11(19)8(2)17-7-9(15-16-17)6-14-10(18)5-12/h7-8H,3-6,12H2,1-2H3,(H,13,19)(H,14,18)
InChIKeyYYTDBLTVPCZISM-UHFFFAOYSA-N
MW268.32 g/mol
LogP-1.06
Rot. Bonds7

About 2-[4-[[(2-aminoacetyl)amino]methyl]triazol-1-yl]-N-propylpropanamide

2-[4-[[(2-aminoacetyl)amino]methyl]triazol-1-yl]-N-propylpropanamide (PubChem CID 114778173) has the molecular formula C11H20N6O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is 2-[4-[[(2-aminoacetyl)amino]methyl]triazol-1-yl]-N-propylpropanamide.

Molecular Properties

Compound Name2-[4-[[(2-aminoacetyl)amino]methyl]triazol-1-yl]-N-propylpropanamide
PubChem CID114778173
Molecular FormulaC11H20N6O2
Molecular Weight268.32 g/mol
Exact Mass268.16
IUPAC Name2-[4-[[(2-aminoacetyl)amino]methyl]triazol-1-yl]-N-propylpropanamide
SMILESCCCNC(=O)C(C)n1cc(CNC(=O)CN)nn1
InChIInChI=1S/C11H20N6O2/c1-3-4-13-11(19)8(2)17-7-9(15-16-17)6-14-10(18)5-12/h7-8H,3-6,12H2,1-2H3,(H,13,19)(H,14,18)
InChIKeyYYTDBLTVPCZISM-UHFFFAOYSA-N
XLogP-1.06
TPSA114.93 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 5-1.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-[4-[[(2-aminoacetyl)amino]methyl]triazol-1-yl]-N-propylpropanamide 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-[[(2-aminoacetyl)amino]methyl]triazol-1-yl]-N,N-diethylpropanamide
CID 114778394
2-[4-(hydroxymethyl)triazol-1-yl]-N-propylpropanamide
CID 62400159
2-amino-N-[[1-(3-hydroxybutan-2-yl)triazol-4-yl]methyl]acetamide
CID 114778510
2-amino-N-[[1-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)triazol-4-yl]methyl]acetamide
CID 114778570
2-[4-(4-aminobutyl)triazol-1-yl]-N-butylpropanamide
CID 106209360
2-[4-(ethylaminomethyl)triazol-1-yl]-N-methylpropanamide
CID 66194489
N-(2-methoxyethyl)-2-[4-(methylaminomethyl)triazol-1-yl]propanamide
CID 66192312
N-(3-methylbutyl)-2-[4-[(2-methylpropylamino)methyl]triazol-1-yl]propanamide
CID 66194414
2-[4-(ethylaminomethyl)triazol-1-yl]-N-(3-methoxypropyl)propanamide
CID 66194678
2-[4-(2-aminoethyl)triazol-1-yl]-N-methylpropanamide
CID 116642219
2-[4-(methylaminomethyl)triazol-1-yl]-N-propan-2-ylpropanamide
CID 66214641
2-amino-N-[[1-[2-oxo-2-(pentan-3-ylamino)ethyl]triazol-4-yl]methyl]acetamide
CID 114778830

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[(2-aminoacetyl)amino]methyl]triazol-1-yl]-N-propylpropanamide?
The IUPAC name of 2-[4-[[(2-aminoacetyl)amino]methyl]triazol-1-yl]-N-propylpropanamide (CID 114778173) is 2-[4-[[(2-aminoacetyl)amino]methyl]triazol-1-yl]-N-propylpropanamide.
What is the SMILES notation for 2-[4-[[(2-aminoacetyl)amino]methyl]triazol-1-yl]-N-propylpropanamide?
The canonical SMILES for 2-[4-[[(2-aminoacetyl)amino]methyl]triazol-1-yl]-N-propylpropanamide is CCCNC(=O)C(C)n1cc(CNC(=O)CN)nn1.
What is the InChIKey of 2-[4-[[(2-aminoacetyl)amino]methyl]triazol-1-yl]-N-propylpropanamide?
The InChIKey is YYTDBLTVPCZISM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N6O2/c1-3-4-13-11(19)8(2)17-7-9(15-16-17)6-14-10(18)5-12/h7-8H,3-6,12H2,1-2H3,(H,13,19)(H,14,18).
What are the key properties of 2-[4-[[(2-aminoacetyl)amino]methyl]triazol-1-yl]-N-propylpropanamide?
2-[4-[[(2-aminoacetyl)amino]methyl]triazol-1-yl]-N-propylpropanamide has a molecular weight of 268.32 g/mol, XLogP of -1.06, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[(2-aminoacetyl)amino]methyl]triazol-1-yl]-N-propylpropanamide is sourced from PubChem (CID 114778173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).