2-methyl-5-[[2-(morpholin-4-ylmethyl)piperidin-1-yl]methyl]-4H-1,2,4-triazol-3-one

C14H25N5O2 — CID 137224110

IUPAC2-methyl-5-[[2-(morpholin-4-ylmethyl)piperidin-1-yl]methyl]-4H-1,2,4-triazol-3-one
SMILESCn1nc(CN2CCCCC2CN2CCOCC2)[nH]c1=O
InChIInChI=1S/C14H25N5O2/c1-17-14(20)15-13(16-17)11-19-5-3-2-4-12(19)10-18-6-8-21-9-7-18/h12H,2-11H2,1H3,(H,15,16,20)
InChIKeyWZPOPESDCPWHFJ-UHFFFAOYSA-N
MW295.39 g/mol
LogP-0.20
Rot. Bonds4

About 2-methyl-5-[[2-(morpholin-4-ylmethyl)piperidin-1-yl]methyl]-4H-1,2,4-triazol-3-one

2-methyl-5-[[2-(morpholin-4-ylmethyl)piperidin-1-yl]methyl]-4H-1,2,4-triazol-3-one (PubChem CID 137224110) has the molecular formula C14H25N5O2 and a molecular weight of 295.39 g/mol. Its IUPAC name is 2-methyl-5-[[2-(morpholin-4-ylmethyl)piperidin-1-yl]methyl]-4H-1,2,4-triazol-3-one.

Molecular Properties

Compound Name2-methyl-5-[[2-(morpholin-4-ylmethyl)piperidin-1-yl]methyl]-4H-1,2,4-triazol-3-one
PubChem CID137224110
Molecular FormulaC14H25N5O2
Molecular Weight295.39 g/mol
Exact Mass295.20
IUPAC Name2-methyl-5-[[2-(morpholin-4-ylmethyl)piperidin-1-yl]methyl]-4H-1,2,4-triazol-3-one
SMILESCn1nc(CN2CCCCC2CN2CCOCC2)[nH]c1=O
InChIInChI=1S/C14H25N5O2/c1-17-14(20)15-13(16-17)11-19-5-3-2-4-12(19)10-18-6-8-21-9-7-18/h12H,2-11H2,1H3,(H,15,16,20)
InChIKeyWZPOPESDCPWHFJ-UHFFFAOYSA-N
XLogP-0.20
TPSA66.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 5-0.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[[2-(morpholin-4-ylmethyl)piperidin-1-yl]methyl]-4H-1,2,4-triazol-3-one?
The IUPAC name of 2-methyl-5-[[2-(morpholin-4-ylmethyl)piperidin-1-yl]methyl]-4H-1,2,4-triazol-3-one (CID 137224110) is 2-methyl-5-[[2-(morpholin-4-ylmethyl)piperidin-1-yl]methyl]-4H-1,2,4-triazol-3-one.
What is the SMILES notation for 2-methyl-5-[[2-(morpholin-4-ylmethyl)piperidin-1-yl]methyl]-4H-1,2,4-triazol-3-one?
The canonical SMILES for 2-methyl-5-[[2-(morpholin-4-ylmethyl)piperidin-1-yl]methyl]-4H-1,2,4-triazol-3-one is Cn1nc(CN2CCCCC2CN2CCOCC2)[nH]c1=O.
What is the InChIKey of 2-methyl-5-[[2-(morpholin-4-ylmethyl)piperidin-1-yl]methyl]-4H-1,2,4-triazol-3-one?
The InChIKey is WZPOPESDCPWHFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5O2/c1-17-14(20)15-13(16-17)11-19-5-3-2-4-12(19)10-18-6-8-21-9-7-18/h12H,2-11H2,1H3,(H,15,16,20).
What are the key properties of 2-methyl-5-[[2-(morpholin-4-ylmethyl)piperidin-1-yl]methyl]-4H-1,2,4-triazol-3-one?
2-methyl-5-[[2-(morpholin-4-ylmethyl)piperidin-1-yl]methyl]-4H-1,2,4-triazol-3-one has a molecular weight of 295.39 g/mol, XLogP of -0.20, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[[2-(morpholin-4-ylmethyl)piperidin-1-yl]methyl]-4H-1,2,4-triazol-3-one is sourced from PubChem (CID 137224110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).