1-[2-[[2-(propan-2-ylamino)acetyl]amino]ethyl]triazole-4-carboxylic acid

C10H17N5O3 — CID 107500149

IUPAC1-[2-[[2-(propan-2-ylamino)acetyl]amino]ethyl]triazole-4-carboxylic acid
SMILESCC(C)NCC(=O)NCCn1cc(C(=O)O)nn1
InChIInChI=1S/C10H17N5O3/c1-7(2)12-5-9(16)11-3-4-15-6-8(10(17)18)13-14-15/h6-7,12H,3-5H2,1-2H3,(H,11,16)(H,17,18)
InChIKeyWHNLDAIVZQICFW-UHFFFAOYSA-N
MW255.28 g/mol
LogP-0.91
Rot. Bonds7

About 1-[2-[[2-(propan-2-ylamino)acetyl]amino]ethyl]triazole-4-carboxylic acid

1-[2-[[2-(propan-2-ylamino)acetyl]amino]ethyl]triazole-4-carboxylic acid (PubChem CID 107500149) has the molecular formula C10H17N5O3 and a molecular weight of 255.28 g/mol. Its IUPAC name is 1-[2-[[2-(propan-2-ylamino)acetyl]amino]ethyl]triazole-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-[[2-(propan-2-ylamino)acetyl]amino]ethyl]triazole-4-carboxylic acid
PubChem CID107500149
Molecular FormulaC10H17N5O3
Molecular Weight255.28 g/mol
Exact Mass255.13
IUPAC Name1-[2-[[2-(propan-2-ylamino)acetyl]amino]ethyl]triazole-4-carboxylic acid
SMILESCC(C)NCC(=O)NCCn1cc(C(=O)O)nn1
InChIInChI=1S/C10H17N5O3/c1-7(2)12-5-9(16)11-3-4-15-6-8(10(17)18)13-14-15/h6-7,12H,3-5H2,1-2H3,(H,11,16)(H,17,18)
InChIKeyWHNLDAIVZQICFW-UHFFFAOYSA-N
XLogP-0.91
TPSA109.14 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 5-0.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-[3-(propan-2-ylamino)propanoylamino]ethyl]triazole-4-carboxylic acid
CID 107500250
1-[2-[(4-amino-3-methylbutanoyl)amino]ethyl]triazole-4-carboxylic acid
CID 107500135
1-[2-[(1-hydroxy-3-methylbutan-2-yl)amino]ethyl]triazole-4-carboxylic acid
CID 103256503
1-[2-(pentan-3-ylamino)ethyl]triazole-4-carboxylic acid
CID 103231103
1-[2-[[1-(methylamino)-1-oxopropan-2-yl]amino]ethyl]triazole-4-carboxylic acid
CID 103246248
1-[2-[1-(dimethylamino)propan-2-ylamino]ethyl]triazole-4-carboxylic acid
CID 103260834
1-[2-(propan-2-ylsulfamoylamino)ethyl]triazole-4-carboxylic acid
CID 114806464
1-[2-(hexan-2-ylamino)ethyl]triazole-4-carboxylic acid
CID 103248347
1-[2-(6-aminohexanoylamino)ethyl]triazole-4-carboxylic acid
CID 107500147
1-[2-(4-methylsulfanylbutan-2-ylamino)ethyl]triazole-4-carboxylic acid
CID 103265843
1-[2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]ethyl]triazole-4-carboxylic acid
CID 103248670
1-[2-[3-(2,2-difluoroethoxy)propanoylamino]ethyl]triazole-4-carboxylic acid
CID 103206086

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[2-(propan-2-ylamino)acetyl]amino]ethyl]triazole-4-carboxylic acid?
The IUPAC name of 1-[2-[[2-(propan-2-ylamino)acetyl]amino]ethyl]triazole-4-carboxylic acid (CID 107500149) is 1-[2-[[2-(propan-2-ylamino)acetyl]amino]ethyl]triazole-4-carboxylic acid.
What is the SMILES notation for 1-[2-[[2-(propan-2-ylamino)acetyl]amino]ethyl]triazole-4-carboxylic acid?
The canonical SMILES for 1-[2-[[2-(propan-2-ylamino)acetyl]amino]ethyl]triazole-4-carboxylic acid is CC(C)NCC(=O)NCCn1cc(C(=O)O)nn1.
What is the InChIKey of 1-[2-[[2-(propan-2-ylamino)acetyl]amino]ethyl]triazole-4-carboxylic acid?
The InChIKey is WHNLDAIVZQICFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O3/c1-7(2)12-5-9(16)11-3-4-15-6-8(10(17)18)13-14-15/h6-7,12H,3-5H2,1-2H3,(H,11,16)(H,17,18).
What are the key properties of 1-[2-[[2-(propan-2-ylamino)acetyl]amino]ethyl]triazole-4-carboxylic acid?
1-[2-[[2-(propan-2-ylamino)acetyl]amino]ethyl]triazole-4-carboxylic acid has a molecular weight of 255.28 g/mol, XLogP of -0.91, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[2-(propan-2-ylamino)acetyl]amino]ethyl]triazole-4-carboxylic acid is sourced from PubChem (CID 107500149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).