5-(4-morpholin-4-ylphenyl)-2H-triazole-4-carboxamide

C13H15N5O2 — CID 169402181

IUPAC5-(4-morpholin-4-ylphenyl)-2H-triazole-4-carboxamide
SMILESNC(=O)c1n[nH]nc1-c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C13H15N5O2/c14-13(19)12-11(15-17-16-12)9-1-3-10(4-2-9)18-5-7-20-8-6-18/h1-4H,5-8H2,(H2,14,19)(H,15,16,17)
InChIKeyVQVHAGVOQCZQNB-UHFFFAOYSA-N
MW273.30 g/mol
LogP0.41
Rot. Bonds3

About 5-(4-morpholin-4-ylphenyl)-2H-triazole-4-carboxamide

5-(4-morpholin-4-ylphenyl)-2H-triazole-4-carboxamide (PubChem CID 169402181) has the molecular formula C13H15N5O2 and a molecular weight of 273.30 g/mol. Its IUPAC name is 5-(4-morpholin-4-ylphenyl)-2H-triazole-4-carboxamide.

Molecular Properties

Compound Name5-(4-morpholin-4-ylphenyl)-2H-triazole-4-carboxamide
PubChem CID169402181
Molecular FormulaC13H15N5O2
Molecular Weight273.30 g/mol
Exact Mass273.12
IUPAC Name5-(4-morpholin-4-ylphenyl)-2H-triazole-4-carboxamide
SMILESNC(=O)c1n[nH]nc1-c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C13H15N5O2/c14-13(19)12-11(15-17-16-12)9-1-3-10(4-2-9)18-5-7-20-8-6-18/h1-4H,5-8H2,(H2,14,19)(H,15,16,17)
InChIKeyVQVHAGVOQCZQNB-UHFFFAOYSA-N
XLogP0.41
TPSA97.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(4-thiomorpholin-4-ylphenyl)-2H-triazole-4-carboxamide
CID 169404659
5-[3-fluoro-4-(morpholin-4-ylmethyl)phenyl]-2H-triazole-4-carboxamide
CID 169402641
5-[4-(pyrrolidine-1-carbonyl)phenyl]-2H-triazole-4-carboxamide
CID 169403975
3-(4-morpholin-4-ylphenyl)-1,2-oxazole-5-carboxamide
CID 68864303
5-(4-cyanophenyl)-2H-triazole-4-carboxamide
CID 169401962
ethyl 5-(2-hydroxy-4-morpholin-4-ylphenyl)-2H-triazole-4-carboxylate
CID 169400304
5-(2-morpholin-4-ylsulfonylphenyl)-2H-triazole-4-carboxamide
CID 169404669
4-[4-(2H-tetrazol-5-yl)phenyl]morpholine
CID 863212
3-(4-morpholin-4-ylphenyl)-1,2,4-oxadiazole-5-carboxamide
CID 154784421
2-[5-(4-morpholin-4-ylphenyl)-2-pyridinyl]acetamide
CID 90005107
5-[2-(4-morpholin-4-ylbutoxy)phenyl]-2H-triazole-4-carboxamide
CID 169403663
13-[4-[4-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)phenyl]phenyl]-1,4,7,10-tetraoxa-13-azacyclopentadecane
CID 102533214

Frequently Asked Questions

What is the IUPAC name of 5-(4-morpholin-4-ylphenyl)-2H-triazole-4-carboxamide?
The IUPAC name of 5-(4-morpholin-4-ylphenyl)-2H-triazole-4-carboxamide (CID 169402181) is 5-(4-morpholin-4-ylphenyl)-2H-triazole-4-carboxamide.
What is the SMILES notation for 5-(4-morpholin-4-ylphenyl)-2H-triazole-4-carboxamide?
The canonical SMILES for 5-(4-morpholin-4-ylphenyl)-2H-triazole-4-carboxamide is NC(=O)c1n[nH]nc1-c1ccc(N2CCOCC2)cc1.
What is the InChIKey of 5-(4-morpholin-4-ylphenyl)-2H-triazole-4-carboxamide?
The InChIKey is VQVHAGVOQCZQNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O2/c14-13(19)12-11(15-17-16-12)9-1-3-10(4-2-9)18-5-7-20-8-6-18/h1-4H,5-8H2,(H2,14,19)(H,15,16,17).
What are the key properties of 5-(4-morpholin-4-ylphenyl)-2H-triazole-4-carboxamide?
5-(4-morpholin-4-ylphenyl)-2H-triazole-4-carboxamide has a molecular weight of 273.30 g/mol, XLogP of 0.41, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-morpholin-4-ylphenyl)-2H-triazole-4-carboxamide is sourced from PubChem (CID 169402181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).