1-[2-(3-amino-1,2,4-triazol-1-yl)ethyl]imidazolidin-2-one

C7H12N6O — CID 60910685

IUPAC1-[2-(3-amino-1,2,4-triazol-1-yl)ethyl]imidazolidin-2-one
SMILESNc1ncn(CCN2CCNC2=O)n1
InChIInChI=1S/C7H12N6O/c8-6-10-5-13(11-6)4-3-12-2-1-9-7(12)14/h5H,1-4H2,(H2,8,11)(H,9,14)
InChIKeyZRWIIQLUKUQEPL-UHFFFAOYSA-N
MW196.21 g/mol
LogP-1.11
Rot. Bonds3

About 1-[2-(3-amino-1,2,4-triazol-1-yl)ethyl]imidazolidin-2-one

1-[2-(3-amino-1,2,4-triazol-1-yl)ethyl]imidazolidin-2-one (PubChem CID 60910685) has the molecular formula C7H12N6O and a molecular weight of 196.21 g/mol. Its IUPAC name is 1-[2-(3-amino-1,2,4-triazol-1-yl)ethyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[2-(3-amino-1,2,4-triazol-1-yl)ethyl]imidazolidin-2-one
PubChem CID60910685
Molecular FormulaC7H12N6O
Molecular Weight196.21 g/mol
Exact Mass196.11
IUPAC Name1-[2-(3-amino-1,2,4-triazol-1-yl)ethyl]imidazolidin-2-one
SMILESNc1ncn(CCN2CCNC2=O)n1
InChIInChI=1S/C7H12N6O/c8-6-10-5-13(11-6)4-3-12-2-1-9-7(12)14/h5H,1-4H2,(H2,8,11)(H,9,14)
InChIKeyZRWIIQLUKUQEPL-UHFFFAOYSA-N
XLogP-1.11
TPSA89.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 5-1.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1,1-Dimethyl-3-[2-(1,2,4-triazol-4-yl)ethyl]urea
CID 20501564
1,1-Dimethyl-3-[2-(tetrazol-1-yl)ethyl]urea
CID 20501591
1-Methyl-3-[2-(1,2,4-triazol-1-yl)ethyl]urea
CID 23548389
2-(1,2,4-Triazol-4-yl)ethylurea
CID 53774485
1-Methyl-3-[2-(1,2,4-triazol-4-yl)ethyl]urea
CID 54376791
N-ethyl-2-(1,2,4-triazol-1-yl)acetamide
CID 60644414
1-(1H-1,2,4-triazol-5-yl)imidazolidin-2-one
CID 67312223
N-[2-(1,2,4-triazol-1-yl)ethyl]carbamoyl iodide
CID 122536268
N-[2-(1,2,4-triazol-1-yl)ethyl]acetamide
CID 122536332
2-(1,2,4-Triazol-1-yl)ethylurea
CID 130666026
N-[2-(1,2,4-triazol-1-yl)ethyl]formamide
CID 131047995
2-(1,2,4-triazol-1-yl)ethylcarbamothioic S-acid
CID 135280537

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-amino-1,2,4-triazol-1-yl)ethyl]imidazolidin-2-one?
The IUPAC name of 1-[2-(3-amino-1,2,4-triazol-1-yl)ethyl]imidazolidin-2-one (CID 60910685) is 1-[2-(3-amino-1,2,4-triazol-1-yl)ethyl]imidazolidin-2-one.
What is the SMILES notation for 1-[2-(3-amino-1,2,4-triazol-1-yl)ethyl]imidazolidin-2-one?
The canonical SMILES for 1-[2-(3-amino-1,2,4-triazol-1-yl)ethyl]imidazolidin-2-one is Nc1ncn(CCN2CCNC2=O)n1.
What is the InChIKey of 1-[2-(3-amino-1,2,4-triazol-1-yl)ethyl]imidazolidin-2-one?
The InChIKey is ZRWIIQLUKUQEPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N6O/c8-6-10-5-13(11-6)4-3-12-2-1-9-7(12)14/h5H,1-4H2,(H2,8,11)(H,9,14).
What are the key properties of 1-[2-(3-amino-1,2,4-triazol-1-yl)ethyl]imidazolidin-2-one?
1-[2-(3-amino-1,2,4-triazol-1-yl)ethyl]imidazolidin-2-one has a molecular weight of 196.21 g/mol, XLogP of -1.11, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-amino-1,2,4-triazol-1-yl)ethyl]imidazolidin-2-one is sourced from PubChem (CID 60910685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).