1-(2-morpholin-4-ylethyl)-N-(6-oxaspiro[2.5]octan-2-yl)triazole-4-carboxamide

C16H25N5O3 — CID 167985130

IUPAC1-(2-morpholin-4-ylethyl)-N-(6-oxaspiro[2.5]octan-2-yl)triazole-4-carboxamide
SMILESO=C(NC1CC12CCOCC2)c1cn(CCN2CCOCC2)nn1
InChIInChI=1S/C16H25N5O3/c22-15(17-14-11-16(14)1-7-23-8-2-16)13-12-21(19-18-13)4-3-20-5-9-24-10-6-20/h12,14H,1-11H2,(H,17,22)
InChIKeyCCHTUALVOALXJO-UHFFFAOYSA-N
MW335.41 g/mol
LogP-0.09
Rot. Bonds5

About 1-(2-morpholin-4-ylethyl)-N-(6-oxaspiro[2.5]octan-2-yl)triazole-4-carboxamide

1-(2-morpholin-4-ylethyl)-N-(6-oxaspiro[2.5]octan-2-yl)triazole-4-carboxamide (PubChem CID 167985130) has the molecular formula C16H25N5O3 and a molecular weight of 335.41 g/mol. Its IUPAC name is 1-(2-morpholin-4-ylethyl)-N-(6-oxaspiro[2.5]octan-2-yl)triazole-4-carboxamide.

Molecular Properties

Compound Name1-(2-morpholin-4-ylethyl)-N-(6-oxaspiro[2.5]octan-2-yl)triazole-4-carboxamide
PubChem CID167985130
Molecular FormulaC16H25N5O3
Molecular Weight335.41 g/mol
Exact Mass335.20
IUPAC Name1-(2-morpholin-4-ylethyl)-N-(6-oxaspiro[2.5]octan-2-yl)triazole-4-carboxamide
SMILESO=C(NC1CC12CCOCC2)c1cn(CCN2CCOCC2)nn1
InChIInChI=1S/C16H25N5O3/c22-15(17-14-11-16(14)1-7-23-8-2-16)13-12-21(19-18-13)4-3-20-5-9-24-10-6-20/h12,14H,1-11H2,(H,17,22)
InChIKeyCCHTUALVOALXJO-UHFFFAOYSA-N
XLogP-0.09
TPSA81.51 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 5-0.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(2-morpholin-4-ylethyl)-N-(6-oxaspiro[2.5]octan-2-yl)triazole-4-carboxamide?
The IUPAC name of 1-(2-morpholin-4-ylethyl)-N-(6-oxaspiro[2.5]octan-2-yl)triazole-4-carboxamide (CID 167985130) is 1-(2-morpholin-4-ylethyl)-N-(6-oxaspiro[2.5]octan-2-yl)triazole-4-carboxamide.
What is the SMILES notation for 1-(2-morpholin-4-ylethyl)-N-(6-oxaspiro[2.5]octan-2-yl)triazole-4-carboxamide?
The canonical SMILES for 1-(2-morpholin-4-ylethyl)-N-(6-oxaspiro[2.5]octan-2-yl)triazole-4-carboxamide is O=C(NC1CC12CCOCC2)c1cn(CCN2CCOCC2)nn1.
What is the InChIKey of 1-(2-morpholin-4-ylethyl)-N-(6-oxaspiro[2.5]octan-2-yl)triazole-4-carboxamide?
The InChIKey is CCHTUALVOALXJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5O3/c22-15(17-14-11-16(14)1-7-23-8-2-16)13-12-21(19-18-13)4-3-20-5-9-24-10-6-20/h12,14H,1-11H2,(H,17,22).
What are the key properties of 1-(2-morpholin-4-ylethyl)-N-(6-oxaspiro[2.5]octan-2-yl)triazole-4-carboxamide?
1-(2-morpholin-4-ylethyl)-N-(6-oxaspiro[2.5]octan-2-yl)triazole-4-carboxamide has a molecular weight of 335.41 g/mol, XLogP of -0.09, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-morpholin-4-ylethyl)-N-(6-oxaspiro[2.5]octan-2-yl)triazole-4-carboxamide is sourced from PubChem (CID 167985130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).