5-methyl-N-(oxan-3-yl)-1-phenyltriazole-4-carboxamide

C15H18N4O2 — CID 110226082

IUPAC5-methyl-N-(oxan-3-yl)-1-phenyltriazole-4-carboxamide
SMILESCc1c(C(=O)NC2CCCOC2)nnn1-c1ccccc1
InChIInChI=1S/C15H18N4O2/c1-11-14(15(20)16-12-6-5-9-21-10-12)17-18-19(11)13-7-3-2-4-8-13/h2-4,7-8,12H,5-6,9-10H2,1H3,(H,16,20)
InChIKeyDLFXYXQUWDGYPD-UHFFFAOYSA-N
MW286.33 g/mol
LogP1.48
Rot. Bonds3

About 5-methyl-N-(oxan-3-yl)-1-phenyltriazole-4-carboxamide

5-methyl-N-(oxan-3-yl)-1-phenyltriazole-4-carboxamide (PubChem CID 110226082) has the molecular formula C15H18N4O2 and a molecular weight of 286.33 g/mol. Its IUPAC name is 5-methyl-N-(oxan-3-yl)-1-phenyltriazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-N-(oxan-3-yl)-1-phenyltriazole-4-carboxamide
PubChem CID110226082
Molecular FormulaC15H18N4O2
Molecular Weight286.33 g/mol
Exact Mass286.14
IUPAC Name5-methyl-N-(oxan-3-yl)-1-phenyltriazole-4-carboxamide
SMILESCc1c(C(=O)NC2CCCOC2)nnn1-c1ccccc1
InChIInChI=1S/C15H18N4O2/c1-11-14(15(20)16-12-6-5-9-21-10-12)17-18-19(11)13-7-3-2-4-8-13/h2-4,7-8,12H,5-6,9-10H2,1H3,(H,16,20)
InChIKeyDLFXYXQUWDGYPD-UHFFFAOYSA-N
XLogP1.48
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(oxan-3-yl)-1-phenyltriazole-4-carboxamide?
The IUPAC name of 5-methyl-N-(oxan-3-yl)-1-phenyltriazole-4-carboxamide (CID 110226082) is 5-methyl-N-(oxan-3-yl)-1-phenyltriazole-4-carboxamide.
What is the SMILES notation for 5-methyl-N-(oxan-3-yl)-1-phenyltriazole-4-carboxamide?
The canonical SMILES for 5-methyl-N-(oxan-3-yl)-1-phenyltriazole-4-carboxamide is Cc1c(C(=O)NC2CCCOC2)nnn1-c1ccccc1.
What is the InChIKey of 5-methyl-N-(oxan-3-yl)-1-phenyltriazole-4-carboxamide?
The InChIKey is DLFXYXQUWDGYPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c1-11-14(15(20)16-12-6-5-9-21-10-12)17-18-19(11)13-7-3-2-4-8-13/h2-4,7-8,12H,5-6,9-10H2,1H3,(H,16,20).
What are the key properties of 5-methyl-N-(oxan-3-yl)-1-phenyltriazole-4-carboxamide?
5-methyl-N-(oxan-3-yl)-1-phenyltriazole-4-carboxamide has a molecular weight of 286.33 g/mol, XLogP of 1.48, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(oxan-3-yl)-1-phenyltriazole-4-carboxamide is sourced from PubChem (CID 110226082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).