[2-hydroxy-3-[4-(morpholin-4-ylmethyl)triazol-1-yl]propyl] N-butylcarbamate

C15H27N5O4 — CID 46863147

IUPAC[2-hydroxy-3-[4-(morpholin-4-ylmethyl)triazol-1-yl]propyl] N-butylcarbamate
SMILESCCCCNC(=O)OCC(O)Cn1cc(CN2CCOCC2)nn1
InChIInChI=1S/C15H27N5O4/c1-2-3-4-16-15(22)24-12-14(21)11-20-10-13(17-18-20)9-19-5-7-23-8-6-19/h10,14,21H,2-9,11-12H2,1H3,(H,16,22)
InChIKeyHPAYZXNOBDTVIE-UHFFFAOYSA-N
MW341.41 g/mol
LogP-0.00
Rot. Bonds9

About [2-hydroxy-3-[4-(morpholin-4-ylmethyl)triazol-1-yl]propyl] N-butylcarbamate

[2-hydroxy-3-[4-(morpholin-4-ylmethyl)triazol-1-yl]propyl] N-butylcarbamate (PubChem CID 46863147) has the molecular formula C15H27N5O4 and a molecular weight of 341.41 g/mol. Its IUPAC name is [2-hydroxy-3-[4-(morpholin-4-ylmethyl)triazol-1-yl]propyl] N-butylcarbamate.

Molecular Properties

Compound Name[2-hydroxy-3-[4-(morpholin-4-ylmethyl)triazol-1-yl]propyl] N-butylcarbamate
PubChem CID46863147
Molecular FormulaC15H27N5O4
Molecular Weight341.41 g/mol
Exact Mass341.21
IUPAC Name[2-hydroxy-3-[4-(morpholin-4-ylmethyl)triazol-1-yl]propyl] N-butylcarbamate
SMILESCCCCNC(=O)OCC(O)Cn1cc(CN2CCOCC2)nn1
InChIInChI=1S/C15H27N5O4/c1-2-3-4-16-15(22)24-12-14(21)11-20-10-13(17-18-20)9-19-5-7-23-8-6-19/h10,14,21H,2-9,11-12H2,1H3,(H,16,22)
InChIKeyHPAYZXNOBDTVIE-UHFFFAOYSA-N
XLogP-0.00
TPSA101.74 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 5-0.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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 [2-hydroxy-3-[4-(morpholin-4-ylmethyl)triazol-1-yl]propyl] N-butylcarbamate?
The IUPAC name of [2-hydroxy-3-[4-(morpholin-4-ylmethyl)triazol-1-yl]propyl] N-butylcarbamate (CID 46863147) is [2-hydroxy-3-[4-(morpholin-4-ylmethyl)triazol-1-yl]propyl] N-butylcarbamate.
What is the SMILES notation for [2-hydroxy-3-[4-(morpholin-4-ylmethyl)triazol-1-yl]propyl] N-butylcarbamate?
The canonical SMILES for [2-hydroxy-3-[4-(morpholin-4-ylmethyl)triazol-1-yl]propyl] N-butylcarbamate is CCCCNC(=O)OCC(O)Cn1cc(CN2CCOCC2)nn1.
What is the InChIKey of [2-hydroxy-3-[4-(morpholin-4-ylmethyl)triazol-1-yl]propyl] N-butylcarbamate?
The InChIKey is HPAYZXNOBDTVIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N5O4/c1-2-3-4-16-15(22)24-12-14(21)11-20-10-13(17-18-20)9-19-5-7-23-8-6-19/h10,14,21H,2-9,11-12H2,1H3,(H,16,22).
What are the key properties of [2-hydroxy-3-[4-(morpholin-4-ylmethyl)triazol-1-yl]propyl] N-butylcarbamate?
[2-hydroxy-3-[4-(morpholin-4-ylmethyl)triazol-1-yl]propyl] N-butylcarbamate has a molecular weight of 341.41 g/mol, XLogP of -0.00, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-hydroxy-3-[4-(morpholin-4-ylmethyl)triazol-1-yl]propyl] N-butylcarbamate is sourced from PubChem (CID 46863147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).