5-[2-(4-morpholin-4-ylbutoxy)phenyl]-2H-triazole-4-carboxamide

C17H23N5O3 — CID 169403663

IUPAC5-[2-(4-morpholin-4-ylbutoxy)phenyl]-2H-triazole-4-carboxamide
SMILESNC(=O)c1n[nH]nc1-c1ccccc1OCCCCN1CCOCC1
InChIInChI=1S/C17H23N5O3/c18-17(23)16-15(19-21-20-16)13-5-1-2-6-14(13)25-10-4-3-7-22-8-11-24-12-9-22/h1-2,5-6H,3-4,7-12H2,(H2,18,23)(H,19,20,21)
InChIKeyVYUFOMJTMPDKGM-UHFFFAOYSA-N
MW345.40 g/mol
LogP1.06
Rot. Bonds8

About 5-[2-(4-morpholin-4-ylbutoxy)phenyl]-2H-triazole-4-carboxamide

5-[2-(4-morpholin-4-ylbutoxy)phenyl]-2H-triazole-4-carboxamide (PubChem CID 169403663) has the molecular formula C17H23N5O3 and a molecular weight of 345.40 g/mol. Its IUPAC name is 5-[2-(4-morpholin-4-ylbutoxy)phenyl]-2H-triazole-4-carboxamide.

Molecular Properties

Compound Name5-[2-(4-morpholin-4-ylbutoxy)phenyl]-2H-triazole-4-carboxamide
PubChem CID169403663
Molecular FormulaC17H23N5O3
Molecular Weight345.40 g/mol
Exact Mass345.18
IUPAC Name5-[2-(4-morpholin-4-ylbutoxy)phenyl]-2H-triazole-4-carboxamide
SMILESNC(=O)c1n[nH]nc1-c1ccccc1OCCCCN1CCOCC1
InChIInChI=1S/C17H23N5O3/c18-17(23)16-15(19-21-20-16)13-5-1-2-6-14(13)25-10-4-3-7-22-8-11-24-12-9-22/h1-2,5-6H,3-4,7-12H2,(H2,18,23)(H,19,20,21)
InChIKeyVYUFOMJTMPDKGM-UHFFFAOYSA-N
XLogP1.06
TPSA106.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-[2-(2-piperidin-1-ylethoxy)phenyl]-2H-triazole-4-carboxamide
CID 169403652
5-[2-(oxan-4-yloxy)phenyl]-2H-triazole-4-carboxamide
CID 169404622
2-(4-morpholin-4-ylbutoxy)phenol
CID 10214621
5-(2-morpholin-4-ylsulfonylphenyl)-2H-triazole-4-carboxamide
CID 169404669
2-(8-morpholin-4-yloctoxy)phenol
CID 10193177
2-(6-morpholin-4-ylhexoxy)phenol
CID 10149383
ethyl 5-[3-methoxy-2-(2-morpholin-4-ylethoxy)phenyl]-2H-triazole-4-carboxylate
CID 169400669
2-(3-morpholin-4-ylpropyl)-1-[2-(2-phenylphenoxy)ethyl]guanidine;hydroiodide
CID 111084976
4-[4-(2-propoxyphenoxy)butyl]morpholine;hydrochloride
CID 2994701
4-[6-(2-methylphenoxy)hexyl]morpholine
CID 5114307
4-[4-(2-butoxyphenoxy)butyl]morpholine;hydrochloride
CID 2993517
3-[[2-[2-(4-morpholin-4-ylbutoxy)phenyl]imidazol-1-yl]methyl]-1,4-dihydro-1,2,4-triazol-5-one
CID 154567498

Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-morpholin-4-ylbutoxy)phenyl]-2H-triazole-4-carboxamide?
The IUPAC name of 5-[2-(4-morpholin-4-ylbutoxy)phenyl]-2H-triazole-4-carboxamide (CID 169403663) is 5-[2-(4-morpholin-4-ylbutoxy)phenyl]-2H-triazole-4-carboxamide.
What is the SMILES notation for 5-[2-(4-morpholin-4-ylbutoxy)phenyl]-2H-triazole-4-carboxamide?
The canonical SMILES for 5-[2-(4-morpholin-4-ylbutoxy)phenyl]-2H-triazole-4-carboxamide is NC(=O)c1n[nH]nc1-c1ccccc1OCCCCN1CCOCC1.
What is the InChIKey of 5-[2-(4-morpholin-4-ylbutoxy)phenyl]-2H-triazole-4-carboxamide?
The InChIKey is VYUFOMJTMPDKGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O3/c18-17(23)16-15(19-21-20-16)13-5-1-2-6-14(13)25-10-4-3-7-22-8-11-24-12-9-22/h1-2,5-6H,3-4,7-12H2,(H2,18,23)(H,19,20,21).
What are the key properties of 5-[2-(4-morpholin-4-ylbutoxy)phenyl]-2H-triazole-4-carboxamide?
5-[2-(4-morpholin-4-ylbutoxy)phenyl]-2H-triazole-4-carboxamide has a molecular weight of 345.40 g/mol, XLogP of 1.06, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-morpholin-4-ylbutoxy)phenyl]-2H-triazole-4-carboxamide is sourced from PubChem (CID 169403663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).