1,4-dihydroimidazol-5-one;pyrimidine;2H-triazole

C9H11N7O — CID 159582593

IUPAC1,4-dihydroimidazol-5-one;pyrimidine;2H-triazole
SMILESO=C1CN=CN1.c1cn[nH]n1.c1cncnc1
InChIInChI=1S/C4H4N2.C3H4N2O.C2H3N3/c1-2-5-4-6-3-1;6-3-1-4-2-5-3;1-2-4-5-3-1/h1-4H;2H,1H2,(H,4,5,6);1-2H,(H,3,4,5)
InChIKeyMJFBFRTYDDQIKZ-UHFFFAOYSA-N
MW233.24 g/mol
LogP-0.57
Rot. Bonds

About 1,4-dihydroimidazol-5-one;pyrimidine;2H-triazole

1,4-dihydroimidazol-5-one;pyrimidine;2H-triazole (PubChem CID 159582593) has the molecular formula C9H11N7O and a molecular weight of 233.24 g/mol. Its IUPAC name is 1,4-dihydroimidazol-5-one;pyrimidine;2H-triazole.

Molecular Properties

Compound Name1,4-dihydroimidazol-5-one;pyrimidine;2H-triazole
PubChem CID159582593
Molecular FormulaC9H11N7O
Molecular Weight233.24 g/mol
Exact Mass233.10
IUPAC Name1,4-dihydroimidazol-5-one;pyrimidine;2H-triazole
SMILESO=C1CN=CN1.c1cn[nH]n1.c1cncnc1
InChIInChI=1S/C4H4N2.C3H4N2O.C2H3N3/c1-2-5-4-6-3-1;6-3-1-4-2-5-3;1-2-4-5-3-1/h1-4H;2H,1H2,(H,4,5,6);1-2H,(H,3,4,5)
InChIKeyMJFBFRTYDDQIKZ-UHFFFAOYSA-N
XLogP-0.57
TPSA108.81 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.24
LogP ≤ 5-0.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1,4-dihydroimidazol-5-one;pyrimidine;2H-triazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,4-dihydroimidazol-5-one;pyrimidine;2H-triazole?
The IUPAC name of 1,4-dihydroimidazol-5-one;pyrimidine;2H-triazole (CID 159582593) is 1,4-dihydroimidazol-5-one;pyrimidine;2H-triazole.
What is the SMILES notation for 1,4-dihydroimidazol-5-one;pyrimidine;2H-triazole?
The canonical SMILES for 1,4-dihydroimidazol-5-one;pyrimidine;2H-triazole is O=C1CN=CN1.c1cn[nH]n1.c1cncnc1.
What is the InChIKey of 1,4-dihydroimidazol-5-one;pyrimidine;2H-triazole?
The InChIKey is MJFBFRTYDDQIKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4N2.C3H4N2O.C2H3N3/c1-2-5-4-6-3-1;6-3-1-4-2-5-3;1-2-4-5-3-1/h1-4H;2H,1H2,(H,4,5,6);1-2H,(H,3,4,5).
What are the key properties of 1,4-dihydroimidazol-5-one;pyrimidine;2H-triazole?
1,4-dihydroimidazol-5-one;pyrimidine;2H-triazole has a molecular weight of 233.24 g/mol, XLogP of -0.57, 0 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dihydroimidazol-5-one;pyrimidine;2H-triazole is sourced from PubChem (CID 159582593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).