4-(1H-1,2,4-triazol-5-ylmethylcarbamoyl)morpholine-2-carboxylic acid

C9H13N5O4 — CID 64525908

IUPAC4-(1H-1,2,4-triazol-5-ylmethylcarbamoyl)morpholine-2-carboxylic acid
SMILESO=C(O)C1CN(C(=O)NCc2ncn[nH]2)CCO1
InChIInChI=1S/C9H13N5O4/c15-8(16)6-4-14(1-2-18-6)9(17)10-3-7-11-5-12-13-7/h5-6H,1-4H2,(H,10,17)(H,15,16)(H,11,12,13)
InChIKeyWEGXNWXFHBJRAW-UHFFFAOYSA-N
MW255.23 g/mol
LogP-1.20
Rot. Bonds3

About 4-(1H-1,2,4-triazol-5-ylmethylcarbamoyl)morpholine-2-carboxylic acid

4-(1H-1,2,4-triazol-5-ylmethylcarbamoyl)morpholine-2-carboxylic acid (PubChem CID 64525908) has the molecular formula C9H13N5O4 and a molecular weight of 255.23 g/mol. Its IUPAC name is 4-(1H-1,2,4-triazol-5-ylmethylcarbamoyl)morpholine-2-carboxylic acid.

Molecular Properties

Compound Name4-(1H-1,2,4-triazol-5-ylmethylcarbamoyl)morpholine-2-carboxylic acid
PubChem CID64525908
Molecular FormulaC9H13N5O4
Molecular Weight255.23 g/mol
Exact Mass255.10
IUPAC Name4-(1H-1,2,4-triazol-5-ylmethylcarbamoyl)morpholine-2-carboxylic acid
SMILESO=C(O)C1CN(C(=O)NCc2ncn[nH]2)CCO1
InChIInChI=1S/C9H13N5O4/c15-8(16)6-4-14(1-2-18-6)9(17)10-3-7-11-5-12-13-7/h5-6H,1-4H2,(H,10,17)(H,15,16)(H,11,12,13)
InChIKeyWEGXNWXFHBJRAW-UHFFFAOYSA-N
XLogP-1.20
TPSA120.44 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.23
LogP ≤ 5-1.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(1H-1,2,4-triazol-5-ylmethylcarbamoyl)morpholine-2-carboxylic acid?
The IUPAC name of 4-(1H-1,2,4-triazol-5-ylmethylcarbamoyl)morpholine-2-carboxylic acid (CID 64525908) is 4-(1H-1,2,4-triazol-5-ylmethylcarbamoyl)morpholine-2-carboxylic acid.
What is the SMILES notation for 4-(1H-1,2,4-triazol-5-ylmethylcarbamoyl)morpholine-2-carboxylic acid?
The canonical SMILES for 4-(1H-1,2,4-triazol-5-ylmethylcarbamoyl)morpholine-2-carboxylic acid is O=C(O)C1CN(C(=O)NCc2ncn[nH]2)CCO1.
What is the InChIKey of 4-(1H-1,2,4-triazol-5-ylmethylcarbamoyl)morpholine-2-carboxylic acid?
The InChIKey is WEGXNWXFHBJRAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5O4/c15-8(16)6-4-14(1-2-18-6)9(17)10-3-7-11-5-12-13-7/h5-6H,1-4H2,(H,10,17)(H,15,16)(H,11,12,13).
What are the key properties of 4-(1H-1,2,4-triazol-5-ylmethylcarbamoyl)morpholine-2-carboxylic acid?
4-(1H-1,2,4-triazol-5-ylmethylcarbamoyl)morpholine-2-carboxylic acid has a molecular weight of 255.23 g/mol, XLogP of -1.20, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-1,2,4-triazol-5-ylmethylcarbamoyl)morpholine-2-carboxylic acid is sourced from PubChem (CID 64525908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).