N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1H-1,2,4-triazole-5-carboxamide

C10H8N6O2 — CID 600134

IUPACN-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1H-1,2,4-triazole-5-carboxamide
SMILESO=C(Nc1ccc2[nH]c(=O)[nH]c2c1)c1ncn[nH]1
InChIInChI=1S/C10H8N6O2/c17-9(8-11-4-12-16-8)13-5-1-2-6-7(3-5)15-10(18)14-6/h1-4H,(H,13,17)(H,11,12,16)(H2,14,15,18)
InChIKeyDPQPIANNPCIUHL-UHFFFAOYSA-N
MW244.21 g/mol
LogP0.23
Rot. Bonds2

About N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1H-1,2,4-triazole-5-carboxamide

N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1H-1,2,4-triazole-5-carboxamide (PubChem CID 600134) has the molecular formula C10H8N6O2 and a molecular weight of 244.21 g/mol. Its IUPAC name is N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1H-1,2,4-triazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1H-1,2,4-triazole-5-carboxamide
PubChem CID600134
Molecular FormulaC10H8N6O2
Molecular Weight244.21 g/mol
Exact Mass244.07
IUPAC NameN-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1H-1,2,4-triazole-5-carboxamide
SMILESO=C(Nc1ccc2[nH]c(=O)[nH]c2c1)c1ncn[nH]1
InChIInChI=1S/C10H8N6O2/c17-9(8-11-4-12-16-8)13-5-1-2-6-7(3-5)15-10(18)14-6/h1-4H,(H,13,17)(H,11,12,16)(H2,14,15,18)
InChIKeyDPQPIANNPCIUHL-UHFFFAOYSA-N
XLogP0.23
TPSA119.32 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.21
LogP ≤ 50.23
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1H-1,2,4-triazole-5-carboxamide?
The IUPAC name of N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1H-1,2,4-triazole-5-carboxamide (CID 600134) is N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1H-1,2,4-triazole-5-carboxamide.
What is the SMILES notation for N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1H-1,2,4-triazole-5-carboxamide?
The canonical SMILES for N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1H-1,2,4-triazole-5-carboxamide is O=C(Nc1ccc2[nH]c(=O)[nH]c2c1)c1ncn[nH]1.
What is the InChIKey of N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1H-1,2,4-triazole-5-carboxamide?
The InChIKey is DPQPIANNPCIUHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N6O2/c17-9(8-11-4-12-16-8)13-5-1-2-6-7(3-5)15-10(18)14-6/h1-4H,(H,13,17)(H,11,12,16)(H2,14,15,18).
What are the key properties of N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1H-1,2,4-triazole-5-carboxamide?
N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1H-1,2,4-triazole-5-carboxamide has a molecular weight of 244.21 g/mol, XLogP of 0.23, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1H-1,2,4-triazole-5-carboxamide is sourced from PubChem (CID 600134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).