4-[2-(1H-1,2,4-triazol-5-yl)ethylcarbamoyl]morpholine-2-carboxylic acid

C10H15N5O4 — CID 64525494

IUPAC4-[2-(1H-1,2,4-triazol-5-yl)ethylcarbamoyl]morpholine-2-carboxylic acid
SMILESO=C(O)C1CN(C(=O)NCCc2ncn[nH]2)CCO1
InChIInChI=1S/C10H15N5O4/c16-9(17)7-5-15(3-4-19-7)10(18)11-2-1-8-12-6-13-14-8/h6-7H,1-5H2,(H,11,18)(H,16,17)(H,12,13,14)
InChIKeyYGVIUZMLISHTCF-UHFFFAOYSA-N
MW269.26 g/mol
LogP-1.16
Rot. Bonds4

About 4-[2-(1H-1,2,4-triazol-5-yl)ethylcarbamoyl]morpholine-2-carboxylic acid

4-[2-(1H-1,2,4-triazol-5-yl)ethylcarbamoyl]morpholine-2-carboxylic acid (PubChem CID 64525494) has the molecular formula C10H15N5O4 and a molecular weight of 269.26 g/mol. Its IUPAC name is 4-[2-(1H-1,2,4-triazol-5-yl)ethylcarbamoyl]morpholine-2-carboxylic acid.

Molecular Properties

Compound Name4-[2-(1H-1,2,4-triazol-5-yl)ethylcarbamoyl]morpholine-2-carboxylic acid
PubChem CID64525494
Molecular FormulaC10H15N5O4
Molecular Weight269.26 g/mol
Exact Mass269.11
IUPAC Name4-[2-(1H-1,2,4-triazol-5-yl)ethylcarbamoyl]morpholine-2-carboxylic acid
SMILESO=C(O)C1CN(C(=O)NCCc2ncn[nH]2)CCO1
InChIInChI=1S/C10H15N5O4/c16-9(17)7-5-15(3-4-19-7)10(18)11-2-1-8-12-6-13-14-8/h6-7H,1-5H2,(H,11,18)(H,16,17)(H,12,13,14)
InChIKeyYGVIUZMLISHTCF-UHFFFAOYSA-N
XLogP-1.16
TPSA120.44 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 5-1.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(1H-1,2,4-triazol-5-yl)ethylcarbamoyl]morpholine-2-carboxylic acid?
The IUPAC name of 4-[2-(1H-1,2,4-triazol-5-yl)ethylcarbamoyl]morpholine-2-carboxylic acid (CID 64525494) is 4-[2-(1H-1,2,4-triazol-5-yl)ethylcarbamoyl]morpholine-2-carboxylic acid.
What is the SMILES notation for 4-[2-(1H-1,2,4-triazol-5-yl)ethylcarbamoyl]morpholine-2-carboxylic acid?
The canonical SMILES for 4-[2-(1H-1,2,4-triazol-5-yl)ethylcarbamoyl]morpholine-2-carboxylic acid is O=C(O)C1CN(C(=O)NCCc2ncn[nH]2)CCO1.
What is the InChIKey of 4-[2-(1H-1,2,4-triazol-5-yl)ethylcarbamoyl]morpholine-2-carboxylic acid?
The InChIKey is YGVIUZMLISHTCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O4/c16-9(17)7-5-15(3-4-19-7)10(18)11-2-1-8-12-6-13-14-8/h6-7H,1-5H2,(H,11,18)(H,16,17)(H,12,13,14).
What are the key properties of 4-[2-(1H-1,2,4-triazol-5-yl)ethylcarbamoyl]morpholine-2-carboxylic acid?
4-[2-(1H-1,2,4-triazol-5-yl)ethylcarbamoyl]morpholine-2-carboxylic acid has a molecular weight of 269.26 g/mol, XLogP of -1.16, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1H-1,2,4-triazol-5-yl)ethylcarbamoyl]morpholine-2-carboxylic acid is sourced from PubChem (CID 64525494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).