1-cyclohexyl-3-[(2-methyltetrazol-5-yl)methyl]imidazolidine-2,4,5-trione

C12H16N6O3 — CID 99800793

IUPAC1-cyclohexyl-3-[(2-methyltetrazol-5-yl)methyl]imidazolidine-2,4,5-trione
SMILESCn1nnc(CN2C(=O)C(=O)N(C3CCCCC3)C2=O)n1
InChIInChI=1S/C12H16N6O3/c1-16-14-9(13-15-16)7-17-10(19)11(20)18(12(17)21)8-5-3-2-4-6-8/h8H,2-7H2,1H3
InChIKeyIAVGTZXRBFCCLC-UHFFFAOYSA-N
MW292.30 g/mol
LogP-0.17
Rot. Bonds3

About 1-cyclohexyl-3-[(2-methyltetrazol-5-yl)methyl]imidazolidine-2,4,5-trione

1-cyclohexyl-3-[(2-methyltetrazol-5-yl)methyl]imidazolidine-2,4,5-trione (PubChem CID 99800793) has the molecular formula C12H16N6O3 and a molecular weight of 292.30 g/mol. Its IUPAC name is 1-cyclohexyl-3-[(2-methyltetrazol-5-yl)methyl]imidazolidine-2,4,5-trione.

Molecular Properties

Compound Name1-cyclohexyl-3-[(2-methyltetrazol-5-yl)methyl]imidazolidine-2,4,5-trione
PubChem CID99800793
Molecular FormulaC12H16N6O3
Molecular Weight292.30 g/mol
Exact Mass292.13
IUPAC Name1-cyclohexyl-3-[(2-methyltetrazol-5-yl)methyl]imidazolidine-2,4,5-trione
SMILESCn1nnc(CN2C(=O)C(=O)N(C3CCCCC3)C2=O)n1
InChIInChI=1S/C12H16N6O3/c1-16-14-9(13-15-16)7-17-10(19)11(20)18(12(17)21)8-5-3-2-4-6-8/h8H,2-7H2,1H3
InChIKeyIAVGTZXRBFCCLC-UHFFFAOYSA-N
XLogP-0.17
TPSA101.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.30
LogP ≤ 5-0.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[(2-methyltetrazol-5-yl)methyl]imidazolidine-2,4,5-trione?
The IUPAC name of 1-cyclohexyl-3-[(2-methyltetrazol-5-yl)methyl]imidazolidine-2,4,5-trione (CID 99800793) is 1-cyclohexyl-3-[(2-methyltetrazol-5-yl)methyl]imidazolidine-2,4,5-trione.
What is the SMILES notation for 1-cyclohexyl-3-[(2-methyltetrazol-5-yl)methyl]imidazolidine-2,4,5-trione?
The canonical SMILES for 1-cyclohexyl-3-[(2-methyltetrazol-5-yl)methyl]imidazolidine-2,4,5-trione is Cn1nnc(CN2C(=O)C(=O)N(C3CCCCC3)C2=O)n1.
What is the InChIKey of 1-cyclohexyl-3-[(2-methyltetrazol-5-yl)methyl]imidazolidine-2,4,5-trione?
The InChIKey is IAVGTZXRBFCCLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N6O3/c1-16-14-9(13-15-16)7-17-10(19)11(20)18(12(17)21)8-5-3-2-4-6-8/h8H,2-7H2,1H3.
What are the key properties of 1-cyclohexyl-3-[(2-methyltetrazol-5-yl)methyl]imidazolidine-2,4,5-trione?
1-cyclohexyl-3-[(2-methyltetrazol-5-yl)methyl]imidazolidine-2,4,5-trione has a molecular weight of 292.30 g/mol, XLogP of -0.17, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[(2-methyltetrazol-5-yl)methyl]imidazolidine-2,4,5-trione is sourced from PubChem (CID 99800793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).