2-oxo-N-(1H-1,2,4-triazol-5-yl)imidazolidine-1-carboxamide

C6H8N6O2 — CID 1285966

IUPAC2-oxo-N-(1H-1,2,4-triazol-5-yl)imidazolidine-1-carboxamide
SMILESO=C1NCCN1C(=O)Nc1ncn[nH]1
InChIInChI=1S/C6H8N6O2/c13-5-7-1-2-12(5)6(14)10-4-8-3-9-11-4/h3H,1-2H2,(H,7,13)(H2,8,9,10,11,14)
InChIKeyVKQZHYWQZKAZBV-UHFFFAOYSA-N
MW196.17 g/mol
LogP-0.64
Rot. Bonds1

About 2-oxo-N-(1H-1,2,4-triazol-5-yl)imidazolidine-1-carboxamide

2-oxo-N-(1H-1,2,4-triazol-5-yl)imidazolidine-1-carboxamide (PubChem CID 1285966) has the molecular formula C6H8N6O2 and a molecular weight of 196.17 g/mol. Its IUPAC name is 2-oxo-N-(1H-1,2,4-triazol-5-yl)imidazolidine-1-carboxamide.

Molecular Properties

Compound Name2-oxo-N-(1H-1,2,4-triazol-5-yl)imidazolidine-1-carboxamide
PubChem CID1285966
Molecular FormulaC6H8N6O2
Molecular Weight196.17 g/mol
Exact Mass196.07
IUPAC Name2-oxo-N-(1H-1,2,4-triazol-5-yl)imidazolidine-1-carboxamide
SMILESO=C1NCCN1C(=O)Nc1ncn[nH]1
InChIInChI=1S/C6H8N6O2/c13-5-7-1-2-12(5)6(14)10-4-8-3-9-11-4/h3H,1-2H2,(H,7,13)(H2,8,9,10,11,14)
InChIKeyVKQZHYWQZKAZBV-UHFFFAOYSA-N
XLogP-0.64
TPSA103.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.17
LogP ≤ 5-0.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1,2,4-Triazolylimidazolidine-2,4-dione
CID 129878288
1-Ethyl-3-(1h-1,2,4-triazol-5-yl)urea
CID 282307
1-(1H-1,2,4-triazol-5-yl)-3-[4-(1H-1,2,4-triazol-5-ylcarbamoylamino)butyl]urea
CID 57646315
1-[2-[methyl-[2-(1H-1,2,4-triazol-5-ylcarbamoylamino)ethyl]amino]ethyl]-3-(1H-1,2,4-triazol-5-yl)urea
CID 57646322
1-propyl-3-(1H-1,2,4-triazol-5-yl)urea
CID 57817493
3-(1H-1,2,4-triazol-5-yl)-1,1-bis[2-(1H-1,2,4-triazol-5-ylcarbamoylamino)ethyl]urea
CID 59248655
1,1-bis[2-(methylcarbamoylamino)ethyl]-3-(1H-1,2,4-triazol-5-yl)urea
CID 59248686
1-(1H-1,2,4-triazol-5-yl)imidazolidin-2-one
CID 67312223
N-ethyl-N-(1H-1,2,4-triazol-5-ylcarbamoyl)carbamate
CID 57349108
1-[2-(3-Amino-1H-1,2,4-triazol-1-YL)ethyl]imidazolidin-2-one
CID 60910685
2-(2,5-dioxoimidazolidin-1-yl)-N-(1H-1,2,4-triazol-5-yl)acetamide
CID 61381398
2-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-(1H-1,2,4-triazol-5-yl)acetamide
CID 61693323

Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-(1H-1,2,4-triazol-5-yl)imidazolidine-1-carboxamide?
The IUPAC name of 2-oxo-N-(1H-1,2,4-triazol-5-yl)imidazolidine-1-carboxamide (CID 1285966) is 2-oxo-N-(1H-1,2,4-triazol-5-yl)imidazolidine-1-carboxamide.
What is the SMILES notation for 2-oxo-N-(1H-1,2,4-triazol-5-yl)imidazolidine-1-carboxamide?
The canonical SMILES for 2-oxo-N-(1H-1,2,4-triazol-5-yl)imidazolidine-1-carboxamide is O=C1NCCN1C(=O)Nc1ncn[nH]1.
What is the InChIKey of 2-oxo-N-(1H-1,2,4-triazol-5-yl)imidazolidine-1-carboxamide?
The InChIKey is VKQZHYWQZKAZBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N6O2/c13-5-7-1-2-12(5)6(14)10-4-8-3-9-11-4/h3H,1-2H2,(H,7,13)(H2,8,9,10,11,14).
What are the key properties of 2-oxo-N-(1H-1,2,4-triazol-5-yl)imidazolidine-1-carboxamide?
2-oxo-N-(1H-1,2,4-triazol-5-yl)imidazolidine-1-carboxamide has a molecular weight of 196.17 g/mol, XLogP of -0.64, 1 rotatable bonds, 3 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-yl)imidazolidine-1-carboxamide is sourced from PubChem (CID 1285966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).