N,3-dicyclopropyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carboxamide

C12H16N4O — CID 118740491

IUPACN,3-dicyclopropyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carboxamide
SMILESO=C(NC1CC1)C1CCc2nnc(C3CC3)n21
InChIInChI=1S/C12H16N4O/c17-12(13-8-3-4-8)9-5-6-10-14-15-11(16(9)10)7-1-2-7/h7-9H,1-6H2,(H,13,17)
InChIKeyDFAJQWYTRGDTDR-UHFFFAOYSA-N
MW232.29 g/mol
LogP0.92
Rot. Bonds3

About N,3-dicyclopropyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carboxamide

N,3-dicyclopropyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carboxamide (PubChem CID 118740491) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is N,3-dicyclopropyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carboxamide.

Molecular Properties

Compound NameN,3-dicyclopropyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carboxamide
PubChem CID118740491
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC NameN,3-dicyclopropyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carboxamide
SMILESO=C(NC1CC1)C1CCc2nnc(C3CC3)n21
InChIInChI=1S/C12H16N4O/c17-12(13-8-3-4-8)9-5-6-10-14-15-11(16(9)10)7-1-2-7/h7-9H,1-6H2,(H,13,17)
InChIKeyDFAJQWYTRGDTDR-UHFFFAOYSA-N
XLogP0.92
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,3-dicyclopropyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carboxamide?
The IUPAC name of N,3-dicyclopropyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carboxamide (CID 118740491) is N,3-dicyclopropyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carboxamide.
What is the SMILES notation for N,3-dicyclopropyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carboxamide?
The canonical SMILES for N,3-dicyclopropyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carboxamide is O=C(NC1CC1)C1CCc2nnc(C3CC3)n21.
What is the InChIKey of N,3-dicyclopropyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carboxamide?
The InChIKey is DFAJQWYTRGDTDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c17-12(13-8-3-4-8)9-5-6-10-14-15-11(16(9)10)7-1-2-7/h7-9H,1-6H2,(H,13,17).
What are the key properties of N,3-dicyclopropyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carboxamide?
N,3-dicyclopropyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carboxamide has a molecular weight of 232.29 g/mol, XLogP of 0.92, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dicyclopropyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carboxamide is sourced from PubChem (CID 118740491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).