1-(oxolan-2-ylmethyl)triazole-4-carboxamide

C8H12N4O2 — CID 143628445

IUPAC1-(oxolan-2-ylmethyl)triazole-4-carboxamide
SMILESNC(=O)c1cn(CC2CCCO2)nn1
InChIInChI=1S/C8H12N4O2/c9-8(13)7-5-12(11-10-7)4-6-2-1-3-14-6/h5-6H,1-4H2,(H2,9,13)
InChIKeyGOVJGLKNOATHEB-UHFFFAOYSA-N
MW196.21 g/mol
LogP-0.44
Rot. Bonds3

About 1-(oxolan-2-ylmethyl)triazole-4-carboxamide

1-(oxolan-2-ylmethyl)triazole-4-carboxamide (PubChem CID 143628445) has the molecular formula C8H12N4O2 and a molecular weight of 196.21 g/mol. Its IUPAC name is 1-(oxolan-2-ylmethyl)triazole-4-carboxamide.

Molecular Properties

Compound Name1-(oxolan-2-ylmethyl)triazole-4-carboxamide
PubChem CID143628445
Molecular FormulaC8H12N4O2
Molecular Weight196.21 g/mol
Exact Mass196.10
IUPAC Name1-(oxolan-2-ylmethyl)triazole-4-carboxamide
SMILESNC(=O)c1cn(CC2CCCO2)nn1
InChIInChI=1S/C8H12N4O2/c9-8(13)7-5-12(11-10-7)4-6-2-1-3-14-6/h5-6H,1-4H2,(H2,9,13)
InChIKeyGOVJGLKNOATHEB-UHFFFAOYSA-N
XLogP-0.44
TPSA83.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 5-0.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(oxolan-2-ylmethyl)triazole-4-carboxamide?
The IUPAC name of 1-(oxolan-2-ylmethyl)triazole-4-carboxamide (CID 143628445) is 1-(oxolan-2-ylmethyl)triazole-4-carboxamide.
What is the SMILES notation for 1-(oxolan-2-ylmethyl)triazole-4-carboxamide?
The canonical SMILES for 1-(oxolan-2-ylmethyl)triazole-4-carboxamide is NC(=O)c1cn(CC2CCCO2)nn1.
What is the InChIKey of 1-(oxolan-2-ylmethyl)triazole-4-carboxamide?
The InChIKey is GOVJGLKNOATHEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O2/c9-8(13)7-5-12(11-10-7)4-6-2-1-3-14-6/h5-6H,1-4H2,(H2,9,13).
What are the key properties of 1-(oxolan-2-ylmethyl)triazole-4-carboxamide?
1-(oxolan-2-ylmethyl)triazole-4-carboxamide has a molecular weight of 196.21 g/mol, XLogP of -0.44, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxolan-2-ylmethyl)triazole-4-carboxamide is sourced from PubChem (CID 143628445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).