3-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]imidazolidine-2,4-dione

C18H13N7O2 — CID 11279829

IUPAC3-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]imidazolidine-2,4-dione
SMILESO=C1CNC(=O)N1c1cccc(-c2n[nH]c3ccc(-c4ncn[nH]4)cc23)c1
InChIInChI=1S/C18H13N7O2/c26-15-8-19-18(27)25(15)12-3-1-2-10(6-12)16-13-7-11(17-20-9-21-24-17)4-5-14(13)22-23-16/h1-7,9H,8H2,(H,19,27)(H,22,23)(H,20,21,24)
InChIKeyOPZRVYMSYVKHFA-UHFFFAOYSA-N
MW359.35 g/mol
LogP2.07
Rot. Bonds3

About 3-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]imidazolidine-2,4-dione

3-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]imidazolidine-2,4-dione (PubChem CID 11279829) has the molecular formula C18H13N7O2 and a molecular weight of 359.35 g/mol. Its IUPAC name is 3-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]imidazolidine-2,4-dione
PubChem CID11279829
Molecular FormulaC18H13N7O2
Molecular Weight359.35 g/mol
Exact Mass359.11
IUPAC Name3-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]imidazolidine-2,4-dione
SMILESO=C1CNC(=O)N1c1cccc(-c2n[nH]c3ccc(-c4ncn[nH]4)cc23)c1
InChIInChI=1S/C18H13N7O2/c26-15-8-19-18(27)25(15)12-3-1-2-10(6-12)16-13-7-11(17-20-9-21-24-17)4-5-14(13)22-23-16/h1-7,9H,8H2,(H,19,27)(H,22,23)(H,20,21,24)
InChIKeyOPZRVYMSYVKHFA-UHFFFAOYSA-N
XLogP2.07
TPSA119.66 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.35
LogP ≤ 52.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]imidazolidine-2,4-dione?
The IUPAC name of 3-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]imidazolidine-2,4-dione (CID 11279829) is 3-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]imidazolidine-2,4-dione.
What is the SMILES notation for 3-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]imidazolidine-2,4-dione?
The canonical SMILES for 3-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]imidazolidine-2,4-dione is O=C1CNC(=O)N1c1cccc(-c2n[nH]c3ccc(-c4ncn[nH]4)cc23)c1.
What is the InChIKey of 3-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]imidazolidine-2,4-dione?
The InChIKey is OPZRVYMSYVKHFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N7O2/c26-15-8-19-18(27)25(15)12-3-1-2-10(6-12)16-13-7-11(17-20-9-21-24-17)4-5-14(13)22-23-16/h1-7,9H,8H2,(H,19,27)(H,22,23)(H,20,21,24).
What are the key properties of 3-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]imidazolidine-2,4-dione?
3-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]imidazolidine-2,4-dione has a molecular weight of 359.35 g/mol, XLogP of 2.07, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]imidazolidine-2,4-dione is sourced from PubChem (CID 11279829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).