1-(oxolan-3-ylmethyl)-N-(3-propan-2-ylpyrazin-2-yl)triazole-4-carboxamide

C15H20N6O2 — CID 166258650

IUPAC1-(oxolan-3-ylmethyl)-N-(3-propan-2-ylpyrazin-2-yl)triazole-4-carboxamide
SMILESCC(C)c1nccnc1NC(=O)c1cn(CC2CCOC2)nn1
InChIInChI=1S/C15H20N6O2/c1-10(2)13-14(17-5-4-16-13)18-15(22)12-8-21(20-19-12)7-11-3-6-23-9-11/h4-5,8,10-11H,3,6-7,9H2,1-2H3,(H,17,18,22)
InChIKeyKJQAQNGLVKJMOX-UHFFFAOYSA-N
MW316.37 g/mol
LogP1.48
Rot. Bonds5

About 1-(oxolan-3-ylmethyl)-N-(3-propan-2-ylpyrazin-2-yl)triazole-4-carboxamide

1-(oxolan-3-ylmethyl)-N-(3-propan-2-ylpyrazin-2-yl)triazole-4-carboxamide (PubChem CID 166258650) has the molecular formula C15H20N6O2 and a molecular weight of 316.37 g/mol. Its IUPAC name is 1-(oxolan-3-ylmethyl)-N-(3-propan-2-ylpyrazin-2-yl)triazole-4-carboxamide.

Molecular Properties

Compound Name1-(oxolan-3-ylmethyl)-N-(3-propan-2-ylpyrazin-2-yl)triazole-4-carboxamide
PubChem CID166258650
Molecular FormulaC15H20N6O2
Molecular Weight316.37 g/mol
Exact Mass316.16
IUPAC Name1-(oxolan-3-ylmethyl)-N-(3-propan-2-ylpyrazin-2-yl)triazole-4-carboxamide
SMILESCC(C)c1nccnc1NC(=O)c1cn(CC2CCOC2)nn1
InChIInChI=1S/C15H20N6O2/c1-10(2)13-14(17-5-4-16-13)18-15(22)12-8-21(20-19-12)7-11-3-6-23-9-11/h4-5,8,10-11H,3,6-7,9H2,1-2H3,(H,17,18,22)
InChIKeyKJQAQNGLVKJMOX-UHFFFAOYSA-N
XLogP1.48
TPSA94.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.37
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(oxolan-3-ylmethyl)-N-(3-propan-2-ylpyrazin-2-yl)triazole-4-carboxamide?
The IUPAC name of 1-(oxolan-3-ylmethyl)-N-(3-propan-2-ylpyrazin-2-yl)triazole-4-carboxamide (CID 166258650) is 1-(oxolan-3-ylmethyl)-N-(3-propan-2-ylpyrazin-2-yl)triazole-4-carboxamide.
What is the SMILES notation for 1-(oxolan-3-ylmethyl)-N-(3-propan-2-ylpyrazin-2-yl)triazole-4-carboxamide?
The canonical SMILES for 1-(oxolan-3-ylmethyl)-N-(3-propan-2-ylpyrazin-2-yl)triazole-4-carboxamide is CC(C)c1nccnc1NC(=O)c1cn(CC2CCOC2)nn1.
What is the InChIKey of 1-(oxolan-3-ylmethyl)-N-(3-propan-2-ylpyrazin-2-yl)triazole-4-carboxamide?
The InChIKey is KJQAQNGLVKJMOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6O2/c1-10(2)13-14(17-5-4-16-13)18-15(22)12-8-21(20-19-12)7-11-3-6-23-9-11/h4-5,8,10-11H,3,6-7,9H2,1-2H3,(H,17,18,22).
What are the key properties of 1-(oxolan-3-ylmethyl)-N-(3-propan-2-ylpyrazin-2-yl)triazole-4-carboxamide?
1-(oxolan-3-ylmethyl)-N-(3-propan-2-ylpyrazin-2-yl)triazole-4-carboxamide has a molecular weight of 316.37 g/mol, XLogP of 1.48, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxolan-3-ylmethyl)-N-(3-propan-2-ylpyrazin-2-yl)triazole-4-carboxamide is sourced from PubChem (CID 166258650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).