1-(2-aminoethyl)-N-[[5-(2-methylpropyl)-1,2-oxazol-3-yl]methyl]triazole-4-carboxamide

C13H20N6O2 — CID 70788626

IUPAC1-(2-aminoethyl)-N-[[5-(2-methylpropyl)-1,2-oxazol-3-yl]methyl]triazole-4-carboxamide
SMILESCC(C)Cc1cc(CNC(=O)c2cn(CCN)nn2)no1
InChIInChI=1S/C13H20N6O2/c1-9(2)5-11-6-10(17-21-11)7-15-13(20)12-8-19(4-3-14)18-16-12/h6,8-9H,3-5,7,14H2,1-2H3,(H,15,20)
InChIKeyOXRCSZLLUAATSL-UHFFFAOYSA-N
MW292.34 g/mol
LogP0.35
Rot. Bonds7

About 1-(2-aminoethyl)-N-[[5-(2-methylpropyl)-1,2-oxazol-3-yl]methyl]triazole-4-carboxamide

1-(2-aminoethyl)-N-[[5-(2-methylpropyl)-1,2-oxazol-3-yl]methyl]triazole-4-carboxamide (PubChem CID 70788626) has the molecular formula C13H20N6O2 and a molecular weight of 292.34 g/mol. Its IUPAC name is 1-(2-aminoethyl)-N-[[5-(2-methylpropyl)-1,2-oxazol-3-yl]methyl]triazole-4-carboxamide.

Molecular Properties

Compound Name1-(2-aminoethyl)-N-[[5-(2-methylpropyl)-1,2-oxazol-3-yl]methyl]triazole-4-carboxamide
PubChem CID70788626
Molecular FormulaC13H20N6O2
Molecular Weight292.34 g/mol
Exact Mass292.16
IUPAC Name1-(2-aminoethyl)-N-[[5-(2-methylpropyl)-1,2-oxazol-3-yl]methyl]triazole-4-carboxamide
SMILESCC(C)Cc1cc(CNC(=O)c2cn(CCN)nn2)no1
InChIInChI=1S/C13H20N6O2/c1-9(2)5-11-6-10(17-21-11)7-15-13(20)12-8-19(4-3-14)18-16-12/h6,8-9H,3-5,7,14H2,1-2H3,(H,15,20)
InChIKeyOXRCSZLLUAATSL-UHFFFAOYSA-N
XLogP0.35
TPSA111.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 50.35
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-[[5-(2-methylpropyl)-1,2-oxazol-3-yl]methyl]triazole-4-carboxamide?
The IUPAC name of 1-(2-aminoethyl)-N-[[5-(2-methylpropyl)-1,2-oxazol-3-yl]methyl]triazole-4-carboxamide (CID 70788626) is 1-(2-aminoethyl)-N-[[5-(2-methylpropyl)-1,2-oxazol-3-yl]methyl]triazole-4-carboxamide.
What is the SMILES notation for 1-(2-aminoethyl)-N-[[5-(2-methylpropyl)-1,2-oxazol-3-yl]methyl]triazole-4-carboxamide?
The canonical SMILES for 1-(2-aminoethyl)-N-[[5-(2-methylpropyl)-1,2-oxazol-3-yl]methyl]triazole-4-carboxamide is CC(C)Cc1cc(CNC(=O)c2cn(CCN)nn2)no1.
What is the InChIKey of 1-(2-aminoethyl)-N-[[5-(2-methylpropyl)-1,2-oxazol-3-yl]methyl]triazole-4-carboxamide?
The InChIKey is OXRCSZLLUAATSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N6O2/c1-9(2)5-11-6-10(17-21-11)7-15-13(20)12-8-19(4-3-14)18-16-12/h6,8-9H,3-5,7,14H2,1-2H3,(H,15,20).
What are the key properties of 1-(2-aminoethyl)-N-[[5-(2-methylpropyl)-1,2-oxazol-3-yl]methyl]triazole-4-carboxamide?
1-(2-aminoethyl)-N-[[5-(2-methylpropyl)-1,2-oxazol-3-yl]methyl]triazole-4-carboxamide has a molecular weight of 292.34 g/mol, XLogP of 0.35, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoethyl)-N-[[5-(2-methylpropyl)-1,2-oxazol-3-yl]methyl]triazole-4-carboxamide is sourced from PubChem (CID 70788626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).