2-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)-1,3-dihydroimidazole-4-carboxamide

C7H8N6O2 — CID 60983322

IUPAC2-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)-1,3-dihydroimidazole-4-carboxamide
SMILESO=C(NCc1ncn[nH]1)c1c[nH]c(=O)[nH]1
InChIInChI=1S/C7H8N6O2/c14-6(4-1-9-7(15)12-4)8-2-5-10-3-11-13-5/h1,3H,2H2,(H,8,14)(H2,9,12,15)(H,10,11,13)
InChIKeyWHDLFZVPWUIRMH-UHFFFAOYSA-N
MW208.18 g/mol
LogP-1.25
Rot. Bonds3

About 2-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)-1,3-dihydroimidazole-4-carboxamide

2-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)-1,3-dihydroimidazole-4-carboxamide (PubChem CID 60983322) has the molecular formula C7H8N6O2 and a molecular weight of 208.18 g/mol. Its IUPAC name is 2-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)-1,3-dihydroimidazole-4-carboxamide.

Molecular Properties

Compound Name2-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)-1,3-dihydroimidazole-4-carboxamide
PubChem CID60983322
Molecular FormulaC7H8N6O2
Molecular Weight208.18 g/mol
Exact Mass208.07
IUPAC Name2-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)-1,3-dihydroimidazole-4-carboxamide
SMILESO=C(NCc1ncn[nH]1)c1c[nH]c(=O)[nH]1
InChIInChI=1S/C7H8N6O2/c14-6(4-1-9-7(15)12-4)8-2-5-10-3-11-13-5/h1,3H,2H2,(H,8,14)(H2,9,12,15)(H,10,11,13)
InChIKeyWHDLFZVPWUIRMH-UHFFFAOYSA-N
XLogP-1.25
TPSA119.32 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.18
LogP ≤ 5-1.25
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-(1H-1,2,4-triazol-5-ylmethyl)-1H-pyrazole-5-carboxamide
CID 64525878
5-nitro-N-(1H-1,2,4-triazol-5-ylmethyl)-1H-pyrrole-2-carboxamide
CID 54883391
N-(1H-1,2,4-triazol-5-ylmethyl)pyrazine-2-carboxamide
CID 60981874
3,5-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide
CID 54883677
2-bromo-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide
CID 63678962
2,6-dichloro-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-4-carboxamide
CID 61041672
3-hydroxy-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-2-carboxamide
CID 60982075
4-carbamothioyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide
CID 64530382
2,4,6-trimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide
CID 54883827
N-(1H-1,2,4-triazol-5-ylmethyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
CID 146086697
3-(1H-1,2,4-triazol-5-ylmethylcarbamoyl)-1,2-oxazole-5-carboxylic acid
CID 107369713
N-(1H-1,2,4-triazol-5-ylmethyl)prop-2-enamide
CID 60977964

Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)-1,3-dihydroimidazole-4-carboxamide?
The IUPAC name of 2-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)-1,3-dihydroimidazole-4-carboxamide (CID 60983322) is 2-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)-1,3-dihydroimidazole-4-carboxamide.
What is the SMILES notation for 2-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)-1,3-dihydroimidazole-4-carboxamide?
The canonical SMILES for 2-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)-1,3-dihydroimidazole-4-carboxamide is O=C(NCc1ncn[nH]1)c1c[nH]c(=O)[nH]1.
What is the InChIKey of 2-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)-1,3-dihydroimidazole-4-carboxamide?
The InChIKey is WHDLFZVPWUIRMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N6O2/c14-6(4-1-9-7(15)12-4)8-2-5-10-3-11-13-5/h1,3H,2H2,(H,8,14)(H2,9,12,15)(H,10,11,13).
What are the key properties of 2-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)-1,3-dihydroimidazole-4-carboxamide?
2-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)-1,3-dihydroimidazole-4-carboxamide has a molecular weight of 208.18 g/mol, XLogP of -1.25, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)-1,3-dihydroimidazole-4-carboxamide is sourced from PubChem (CID 60983322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).