5-(1H-imidazol-2-yl)-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole-2-carboxamide

C9H10N6O — CID 145225642

IUPAC5-(1H-imidazol-2-yl)-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole-2-carboxamide
SMILESNC(=O)c1nc2n(n1)C(c1ncc[nH]1)CC2
InChIInChI=1S/C9H10N6O/c10-7(16)9-13-6-2-1-5(15(6)14-9)8-11-3-4-12-8/h3-5H,1-2H2,(H2,10,16)(H,11,12)
InChIKeyCSJLYGLHYPKXOT-UHFFFAOYSA-N
MW218.22 g/mol
LogP-0.36
Rot. Bonds2

About 5-(1H-imidazol-2-yl)-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole-2-carboxamide

5-(1H-imidazol-2-yl)-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole-2-carboxamide (PubChem CID 145225642) has the molecular formula C9H10N6O and a molecular weight of 218.22 g/mol. Its IUPAC name is 5-(1H-imidazol-2-yl)-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole-2-carboxamide.

Molecular Properties

Compound Name5-(1H-imidazol-2-yl)-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole-2-carboxamide
PubChem CID145225642
Molecular FormulaC9H10N6O
Molecular Weight218.22 g/mol
Exact Mass218.09
IUPAC Name5-(1H-imidazol-2-yl)-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole-2-carboxamide
SMILESNC(=O)c1nc2n(n1)C(c1ncc[nH]1)CC2
InChIInChI=1S/C9H10N6O/c10-7(16)9-13-6-2-1-5(15(6)14-9)8-11-3-4-12-8/h3-5H,1-2H2,(H2,10,16)(H,11,12)
InChIKeyCSJLYGLHYPKXOT-UHFFFAOYSA-N
XLogP-0.36
TPSA102.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.22
LogP ≤ 5-0.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(1H-imidazol-2-yl)-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole-2-carboxamide?
The IUPAC name of 5-(1H-imidazol-2-yl)-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole-2-carboxamide (CID 145225642) is 5-(1H-imidazol-2-yl)-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole-2-carboxamide.
What is the SMILES notation for 5-(1H-imidazol-2-yl)-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole-2-carboxamide?
The canonical SMILES for 5-(1H-imidazol-2-yl)-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole-2-carboxamide is NC(=O)c1nc2n(n1)C(c1ncc[nH]1)CC2.
What is the InChIKey of 5-(1H-imidazol-2-yl)-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole-2-carboxamide?
The InChIKey is CSJLYGLHYPKXOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N6O/c10-7(16)9-13-6-2-1-5(15(6)14-9)8-11-3-4-12-8/h3-5H,1-2H2,(H2,10,16)(H,11,12).
What are the key properties of 5-(1H-imidazol-2-yl)-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole-2-carboxamide?
5-(1H-imidazol-2-yl)-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole-2-carboxamide has a molecular weight of 218.22 g/mol, XLogP of -0.36, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1H-imidazol-2-yl)-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole-2-carboxamide is sourced from PubChem (CID 145225642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).