morpholine;triazole-1-carboxylic acid

C7H12N4O3 — CID 161053581

IUPACmorpholine;triazole-1-carboxylic acid
SMILESC1COCCN1.O=C(O)n1ccnn1
InChIInChI=1S/C4H9NO.C3H3N3O2/c1-3-6-4-2-5-1;7-3(8)6-2-1-4-5-6/h5H,1-4H2;1-2H,(H,7,8)
InChIKeyUCLLAGPJMAIFDR-UHFFFAOYSA-N
MW200.20 g/mol
LogP-0.59
Rot. Bonds

About morpholine;triazole-1-carboxylic acid

morpholine;triazole-1-carboxylic acid (PubChem CID 161053581) has the molecular formula C7H12N4O3 and a molecular weight of 200.20 g/mol. Its IUPAC name is morpholine;triazole-1-carboxylic acid.

Molecular Properties

Compound Namemorpholine;triazole-1-carboxylic acid
PubChem CID161053581
Molecular FormulaC7H12N4O3
Molecular Weight200.20 g/mol
Exact Mass200.09
IUPAC Namemorpholine;triazole-1-carboxylic acid
SMILESC1COCCN1.O=C(O)n1ccnn1
InChIInChI=1S/C4H9NO.C3H3N3O2/c1-3-6-4-2-5-1;7-3(8)6-2-1-4-5-6/h5H,1-4H2;1-2H,(H,7,8)
InChIKeyUCLLAGPJMAIFDR-UHFFFAOYSA-N
XLogP-0.59
TPSA89.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.20
LogP ≤ 5-0.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of morpholine;triazole-1-carboxylic acid?
The IUPAC name of morpholine;triazole-1-carboxylic acid (CID 161053581) is morpholine;triazole-1-carboxylic acid.
What is the SMILES notation for morpholine;triazole-1-carboxylic acid?
The canonical SMILES for morpholine;triazole-1-carboxylic acid is C1COCCN1.O=C(O)n1ccnn1.
What is the InChIKey of morpholine;triazole-1-carboxylic acid?
The InChIKey is UCLLAGPJMAIFDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO.C3H3N3O2/c1-3-6-4-2-5-1;7-3(8)6-2-1-4-5-6/h5H,1-4H2;1-2H,(H,7,8).
What are the key properties of morpholine;triazole-1-carboxylic acid?
morpholine;triazole-1-carboxylic acid has a molecular weight of 200.20 g/mol, XLogP of -0.59, 0 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for morpholine;triazole-1-carboxylic acid is sourced from PubChem (CID 161053581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).