1-[2-[ethyl-[2-(methylamino)-2-oxoethyl]amino]ethyl]triazole-4-carboxylic acid

C10H17N5O3 — CID 54948315

IUPAC1-[2-[ethyl-[2-(methylamino)-2-oxoethyl]amino]ethyl]triazole-4-carboxylic acid
SMILESCCN(CCn1cc(C(=O)O)nn1)CC(=O)NC
InChIInChI=1S/C10H17N5O3/c1-3-14(7-9(16)11-2)4-5-15-6-8(10(17)18)12-13-15/h6H,3-5,7H2,1-2H3,(H,11,16)(H,17,18)
InChIKeyWUTLRUNEZYXBCI-UHFFFAOYSA-N
MW255.28 g/mol
LogP-0.96
Rot. Bonds7

About 1-[2-[ethyl-[2-(methylamino)-2-oxoethyl]amino]ethyl]triazole-4-carboxylic acid

1-[2-[ethyl-[2-(methylamino)-2-oxoethyl]amino]ethyl]triazole-4-carboxylic acid (PubChem CID 54948315) has the molecular formula C10H17N5O3 and a molecular weight of 255.28 g/mol. Its IUPAC name is 1-[2-[ethyl-[2-(methylamino)-2-oxoethyl]amino]ethyl]triazole-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-[ethyl-[2-(methylamino)-2-oxoethyl]amino]ethyl]triazole-4-carboxylic acid
PubChem CID54948315
Molecular FormulaC10H17N5O3
Molecular Weight255.28 g/mol
Exact Mass255.13
IUPAC Name1-[2-[ethyl-[2-(methylamino)-2-oxoethyl]amino]ethyl]triazole-4-carboxylic acid
SMILESCCN(CCn1cc(C(=O)O)nn1)CC(=O)NC
InChIInChI=1S/C10H17N5O3/c1-3-14(7-9(16)11-2)4-5-15-6-8(10(17)18)12-13-15/h6H,3-5,7H2,1-2H3,(H,11,16)(H,17,18)
InChIKeyWUTLRUNEZYXBCI-UHFFFAOYSA-N
XLogP-0.96
TPSA100.35 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 5-0.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-[ethyl(2-methoxyethyl)amino]ethyl]triazole-4-carboxylic acid
CID 61446251
1-[2-[bis(2-methoxyethyl)amino]ethyl]triazole-4-carboxylic acid
CID 61418872
1-[2-[2-[ethyl(methyl)amino]ethylamino]ethyl]triazole-4-carboxylic acid
CID 103249170
1-[2-[[1-(methylamino)-1-oxopropan-2-yl]amino]ethyl]triazole-4-carboxylic acid
CID 103246248
1-[2-[benzyl(ethyl)amino]ethyl]triazole-4-carbohydrazide
CID 63573811
1-[2-[cyclobutylmethyl(ethyl)amino]ethyl]triazole-4-carbohydrazide
CID 107402406
1-[2-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]ethyl]triazole-4-carboxylic acid
CID 61442683
1-(2-fluoroethyl)triazole-4-carboxylic acid
CID 79006648
1-[2-(pentan-3-ylamino)ethyl]triazole-4-carboxylic acid
CID 103231103
1-[2-[2-[cyclopropyl(ethyl)amino]ethylamino]ethyl]triazole-4-carboxylic acid
CID 114133017
1-[2-(4-hydroxy-N-methylanilino)ethyl]triazole-4-carboxylic acid
CID 62254735
1-[2-[cyclopentyl(methyl)amino]ethyl]triazole-4-carboxylic acid
CID 43267317

Frequently Asked Questions

What is the IUPAC name of 1-[2-[ethyl-[2-(methylamino)-2-oxoethyl]amino]ethyl]triazole-4-carboxylic acid?
The IUPAC name of 1-[2-[ethyl-[2-(methylamino)-2-oxoethyl]amino]ethyl]triazole-4-carboxylic acid (CID 54948315) is 1-[2-[ethyl-[2-(methylamino)-2-oxoethyl]amino]ethyl]triazole-4-carboxylic acid.
What is the SMILES notation for 1-[2-[ethyl-[2-(methylamino)-2-oxoethyl]amino]ethyl]triazole-4-carboxylic acid?
The canonical SMILES for 1-[2-[ethyl-[2-(methylamino)-2-oxoethyl]amino]ethyl]triazole-4-carboxylic acid is CCN(CCn1cc(C(=O)O)nn1)CC(=O)NC.
What is the InChIKey of 1-[2-[ethyl-[2-(methylamino)-2-oxoethyl]amino]ethyl]triazole-4-carboxylic acid?
The InChIKey is WUTLRUNEZYXBCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O3/c1-3-14(7-9(16)11-2)4-5-15-6-8(10(17)18)12-13-15/h6H,3-5,7H2,1-2H3,(H,11,16)(H,17,18).
What are the key properties of 1-[2-[ethyl-[2-(methylamino)-2-oxoethyl]amino]ethyl]triazole-4-carboxylic acid?
1-[2-[ethyl-[2-(methylamino)-2-oxoethyl]amino]ethyl]triazole-4-carboxylic acid has a molecular weight of 255.28 g/mol, XLogP of -0.96, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[ethyl-[2-(methylamino)-2-oxoethyl]amino]ethyl]triazole-4-carboxylic acid is sourced from PubChem (CID 54948315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).