1-[2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]imidazolidin-2-one

C7H10N6O2S — CID 34227639

IUPAC1-[2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]imidazolidin-2-one
SMILESNc1nc(SCC(=O)N2CCNC2=O)n[nH]1
InChIInChI=1S/C7H10N6O2S/c8-5-10-6(12-11-5)16-3-4(14)13-2-1-9-7(13)15/h1-3H2,(H,9,15)(H3,8,10,11,12)
InChIKeyAQXXFGCJXJZPPQ-UHFFFAOYSA-N
MW242.26 g/mol
LogP-0.97
Rot. Bonds3

About 1-[2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]imidazolidin-2-one

1-[2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]imidazolidin-2-one (PubChem CID 34227639) has the molecular formula C7H10N6O2S and a molecular weight of 242.26 g/mol. Its IUPAC name is 1-[2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]imidazolidin-2-one
PubChem CID34227639
Molecular FormulaC7H10N6O2S
Molecular Weight242.26 g/mol
Exact Mass242.06
IUPAC Name1-[2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]imidazolidin-2-one
SMILESNc1nc(SCC(=O)N2CCNC2=O)n[nH]1
InChIInChI=1S/C7H10N6O2S/c8-5-10-6(12-11-5)16-3-4(14)13-2-1-9-7(13)15/h1-3H2,(H,9,15)(H3,8,10,11,12)
InChIKeyAQXXFGCJXJZPPQ-UHFFFAOYSA-N
XLogP-0.97
TPSA117.00 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.26
LogP ≤ 5-0.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]imidazolidin-2-one?
The IUPAC name of 1-[2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]imidazolidin-2-one (CID 34227639) is 1-[2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]imidazolidin-2-one.
What is the SMILES notation for 1-[2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]imidazolidin-2-one?
The canonical SMILES for 1-[2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]imidazolidin-2-one is Nc1nc(SCC(=O)N2CCNC2=O)n[nH]1.
What is the InChIKey of 1-[2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]imidazolidin-2-one?
The InChIKey is AQXXFGCJXJZPPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N6O2S/c8-5-10-6(12-11-5)16-3-4(14)13-2-1-9-7(13)15/h1-3H2,(H,9,15)(H3,8,10,11,12).
What are the key properties of 1-[2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]imidazolidin-2-one?
1-[2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]imidazolidin-2-one has a molecular weight of 242.26 g/mol, XLogP of -0.97, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]imidazolidin-2-one is sourced from PubChem (CID 34227639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).