4-[methyl(1H-1,2,4-triazol-5-ylmethyl)carbamoyl]morpholine-2-carboxylic acid

C10H15N5O4 — CID 64519842

IUPAC4-[methyl(1H-1,2,4-triazol-5-ylmethyl)carbamoyl]morpholine-2-carboxylic acid
SMILESCN(Cc1ncn[nH]1)C(=O)N1CCOC(C(=O)O)C1
InChIInChI=1S/C10H15N5O4/c1-14(5-8-11-6-12-13-8)10(18)15-2-3-19-7(4-15)9(16)17/h6-7H,2-5H2,1H3,(H,16,17)(H,11,12,13)
InChIKeyRTRAFHLYFVCMAP-UHFFFAOYSA-N
MW269.26 g/mol
LogP-0.86
Rot. Bonds3

About 4-[methyl(1H-1,2,4-triazol-5-ylmethyl)carbamoyl]morpholine-2-carboxylic acid

4-[methyl(1H-1,2,4-triazol-5-ylmethyl)carbamoyl]morpholine-2-carboxylic acid (PubChem CID 64519842) has the molecular formula C10H15N5O4 and a molecular weight of 269.26 g/mol. Its IUPAC name is 4-[methyl(1H-1,2,4-triazol-5-ylmethyl)carbamoyl]morpholine-2-carboxylic acid.

Molecular Properties

Compound Name4-[methyl(1H-1,2,4-triazol-5-ylmethyl)carbamoyl]morpholine-2-carboxylic acid
PubChem CID64519842
Molecular FormulaC10H15N5O4
Molecular Weight269.26 g/mol
Exact Mass269.11
IUPAC Name4-[methyl(1H-1,2,4-triazol-5-ylmethyl)carbamoyl]morpholine-2-carboxylic acid
SMILESCN(Cc1ncn[nH]1)C(=O)N1CCOC(C(=O)O)C1
InChIInChI=1S/C10H15N5O4/c1-14(5-8-11-6-12-13-8)10(18)15-2-3-19-7(4-15)9(16)17/h6-7H,2-5H2,1H3,(H,16,17)(H,11,12,13)
InChIKeyRTRAFHLYFVCMAP-UHFFFAOYSA-N
XLogP-0.86
TPSA111.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 5-0.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[methyl(1H-1,2,4-triazol-5-ylmethyl)carbamoyl]morpholine-2-carboxylic acid?
The IUPAC name of 4-[methyl(1H-1,2,4-triazol-5-ylmethyl)carbamoyl]morpholine-2-carboxylic acid (CID 64519842) is 4-[methyl(1H-1,2,4-triazol-5-ylmethyl)carbamoyl]morpholine-2-carboxylic acid.
What is the SMILES notation for 4-[methyl(1H-1,2,4-triazol-5-ylmethyl)carbamoyl]morpholine-2-carboxylic acid?
The canonical SMILES for 4-[methyl(1H-1,2,4-triazol-5-ylmethyl)carbamoyl]morpholine-2-carboxylic acid is CN(Cc1ncn[nH]1)C(=O)N1CCOC(C(=O)O)C1.
What is the InChIKey of 4-[methyl(1H-1,2,4-triazol-5-ylmethyl)carbamoyl]morpholine-2-carboxylic acid?
The InChIKey is RTRAFHLYFVCMAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O4/c1-14(5-8-11-6-12-13-8)10(18)15-2-3-19-7(4-15)9(16)17/h6-7H,2-5H2,1H3,(H,16,17)(H,11,12,13).
What are the key properties of 4-[methyl(1H-1,2,4-triazol-5-ylmethyl)carbamoyl]morpholine-2-carboxylic acid?
4-[methyl(1H-1,2,4-triazol-5-ylmethyl)carbamoyl]morpholine-2-carboxylic acid has a molecular weight of 269.26 g/mol, XLogP of -0.86, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl(1H-1,2,4-triazol-5-ylmethyl)carbamoyl]morpholine-2-carboxylic acid is sourced from PubChem (CID 64519842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).