1-(2-aminoethyl)-N-[(3S,4R)-4-ethoxyoxolan-3-yl]triazole-4-carboxamide

C11H19N5O3 — CID 70777283

IUPAC1-(2-aminoethyl)-N-[(3S,4R)-4-ethoxyoxolan-3-yl]triazole-4-carboxamide
SMILESCCO[C@H]1COC[C@@H]1NC(=O)c1cn(CCN)nn1
InChIInChI=1S/C11H19N5O3/c1-2-19-10-7-18-6-9(10)13-11(17)8-5-16(4-3-12)15-14-8/h5,9-10H,2-4,6-7,12H2,1H3,(H,13,17)/t9-,10-/m0/s1
InChIKeyXMGCEUIPWYONQQ-UWVGGRQHSA-N
MW269.31 g/mol
LogP-1.23
Rot. Bonds6

About 1-(2-aminoethyl)-N-[(3S,4R)-4-ethoxyoxolan-3-yl]triazole-4-carboxamide

1-(2-aminoethyl)-N-[(3S,4R)-4-ethoxyoxolan-3-yl]triazole-4-carboxamide (PubChem CID 70777283) has the molecular formula C11H19N5O3 and a molecular weight of 269.31 g/mol. Its IUPAC name is 1-(2-aminoethyl)-N-[(3S,4R)-4-ethoxyoxolan-3-yl]triazole-4-carboxamide.

Molecular Properties

Compound Name1-(2-aminoethyl)-N-[(3S,4R)-4-ethoxyoxolan-3-yl]triazole-4-carboxamide
PubChem CID70777283
Molecular FormulaC11H19N5O3
Molecular Weight269.31 g/mol
Exact Mass269.15
IUPAC Name1-(2-aminoethyl)-N-[(3S,4R)-4-ethoxyoxolan-3-yl]triazole-4-carboxamide
SMILESCCO[C@H]1COC[C@@H]1NC(=O)c1cn(CCN)nn1
InChIInChI=1S/C11H19N5O3/c1-2-19-10-7-18-6-9(10)13-11(17)8-5-16(4-3-12)15-14-8/h5,9-10H,2-4,6-7,12H2,1H3,(H,13,17)/t9-,10-/m0/s1
InChIKeyXMGCEUIPWYONQQ-UWVGGRQHSA-N
XLogP-1.23
TPSA104.29 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.31
LogP ≤ 5-1.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoethyl)-N-[(3S,4R)-4-ethoxyoxolan-3-yl]triazole-4-carboxamide?
The IUPAC name of 1-(2-aminoethyl)-N-[(3S,4R)-4-ethoxyoxolan-3-yl]triazole-4-carboxamide (CID 70777283) is 1-(2-aminoethyl)-N-[(3S,4R)-4-ethoxyoxolan-3-yl]triazole-4-carboxamide.
What is the SMILES notation for 1-(2-aminoethyl)-N-[(3S,4R)-4-ethoxyoxolan-3-yl]triazole-4-carboxamide?
The canonical SMILES for 1-(2-aminoethyl)-N-[(3S,4R)-4-ethoxyoxolan-3-yl]triazole-4-carboxamide is CCO[C@H]1COC[C@@H]1NC(=O)c1cn(CCN)nn1.
What is the InChIKey of 1-(2-aminoethyl)-N-[(3S,4R)-4-ethoxyoxolan-3-yl]triazole-4-carboxamide?
The InChIKey is XMGCEUIPWYONQQ-UWVGGRQHSA-N. The full InChI is InChI=1S/C11H19N5O3/c1-2-19-10-7-18-6-9(10)13-11(17)8-5-16(4-3-12)15-14-8/h5,9-10H,2-4,6-7,12H2,1H3,(H,13,17)/t9-,10-/m0/s1.
What are the key properties of 1-(2-aminoethyl)-N-[(3S,4R)-4-ethoxyoxolan-3-yl]triazole-4-carboxamide?
1-(2-aminoethyl)-N-[(3S,4R)-4-ethoxyoxolan-3-yl]triazole-4-carboxamide has a molecular weight of 269.31 g/mol, XLogP of -1.23, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoethyl)-N-[(3S,4R)-4-ethoxyoxolan-3-yl]triazole-4-carboxamide is sourced from PubChem (CID 70777283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).