N-(3-morpholin-4-ylpropyl)-2H-triazole-4-carboxamide

C10H17N5O2 — CID 110475464

IUPACN-(3-morpholin-4-ylpropyl)-2H-triazole-4-carboxamide
SMILESO=C(NCCCN1CCOCC1)c1cn[nH]n1
InChIInChI=1S/C10H17N5O2/c16-10(9-8-12-14-13-9)11-2-1-3-15-4-6-17-7-5-15/h8H,1-7H2,(H,11,16)(H,12,13,14)
InChIKeyQMCLUBYTGRLBHO-UHFFFAOYSA-N
MW239.28 g/mol
LogP-0.74
Rot. Bonds5

About N-(3-morpholin-4-ylpropyl)-2H-triazole-4-carboxamide

N-(3-morpholin-4-ylpropyl)-2H-triazole-4-carboxamide (PubChem CID 110475464) has the molecular formula C10H17N5O2 and a molecular weight of 239.28 g/mol. Its IUPAC name is N-(3-morpholin-4-ylpropyl)-2H-triazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-morpholin-4-ylpropyl)-2H-triazole-4-carboxamide
PubChem CID110475464
Molecular FormulaC10H17N5O2
Molecular Weight239.28 g/mol
Exact Mass239.14
IUPAC NameN-(3-morpholin-4-ylpropyl)-2H-triazole-4-carboxamide
SMILESO=C(NCCCN1CCOCC1)c1cn[nH]n1
InChIInChI=1S/C10H17N5O2/c16-10(9-8-12-14-13-9)11-2-1-3-15-4-6-17-7-5-15/h8H,1-7H2,(H,11,16)(H,12,13,14)
InChIKeyQMCLUBYTGRLBHO-UHFFFAOYSA-N
XLogP-0.74
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 5-0.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-morpholin-4-ylpropyl)-2H-triazole-4-carboxamide?
The IUPAC name of N-(3-morpholin-4-ylpropyl)-2H-triazole-4-carboxamide (CID 110475464) is N-(3-morpholin-4-ylpropyl)-2H-triazole-4-carboxamide.
What is the SMILES notation for N-(3-morpholin-4-ylpropyl)-2H-triazole-4-carboxamide?
The canonical SMILES for N-(3-morpholin-4-ylpropyl)-2H-triazole-4-carboxamide is O=C(NCCCN1CCOCC1)c1cn[nH]n1.
What is the InChIKey of N-(3-morpholin-4-ylpropyl)-2H-triazole-4-carboxamide?
The InChIKey is QMCLUBYTGRLBHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O2/c16-10(9-8-12-14-13-9)11-2-1-3-15-4-6-17-7-5-15/h8H,1-7H2,(H,11,16)(H,12,13,14).
What are the key properties of N-(3-morpholin-4-ylpropyl)-2H-triazole-4-carboxamide?
N-(3-morpholin-4-ylpropyl)-2H-triazole-4-carboxamide has a molecular weight of 239.28 g/mol, XLogP of -0.74, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-morpholin-4-ylpropyl)-2H-triazole-4-carboxamide is sourced from PubChem (CID 110475464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).