3-methyl-4-oxo-N-phenylmethoxy-2,6-dihydroimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide

C13H14N6O3 — CID 121286608

IUPAC3-methyl-4-oxo-N-phenylmethoxy-2,6-dihydroimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide
SMILESCN1NN=C2C(C(=O)NOCc3ccccc3)=NCN2C1=O
InChIInChI=1S/C13H14N6O3/c1-18-13(21)19-8-14-10(11(19)15-17-18)12(20)16-22-7-9-5-3-2-4-6-9/h2-6,17H,7-8H2,1H3,(H,16,20)
InChIKeyOGZWBNGMBGEZLU-UHFFFAOYSA-N
MW302.29 g/mol
LogP-0.17
Rot. Bonds4

About 3-methyl-4-oxo-N-phenylmethoxy-2,6-dihydroimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide

3-methyl-4-oxo-N-phenylmethoxy-2,6-dihydroimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide (PubChem CID 121286608) has the molecular formula C13H14N6O3 and a molecular weight of 302.29 g/mol. Its IUPAC name is 3-methyl-4-oxo-N-phenylmethoxy-2,6-dihydroimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide.

Molecular Properties

Compound Name3-methyl-4-oxo-N-phenylmethoxy-2,6-dihydroimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide
PubChem CID121286608
Molecular FormulaC13H14N6O3
Molecular Weight302.29 g/mol
Exact Mass302.11
IUPAC Name3-methyl-4-oxo-N-phenylmethoxy-2,6-dihydroimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide
SMILESCN1NN=C2C(C(=O)NOCc3ccccc3)=NCN2C1=O
InChIInChI=1S/C13H14N6O3/c1-18-13(21)19-8-14-10(11(19)15-17-18)12(20)16-22-7-9-5-3-2-4-6-9/h2-6,17H,7-8H2,1H3,(H,16,20)
InChIKeyOGZWBNGMBGEZLU-UHFFFAOYSA-N
XLogP-0.17
TPSA98.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.29
LogP ≤ 5-0.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-oxo-N-phenylmethoxy-2,6-dihydroimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide?
The IUPAC name of 3-methyl-4-oxo-N-phenylmethoxy-2,6-dihydroimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide (CID 121286608) is 3-methyl-4-oxo-N-phenylmethoxy-2,6-dihydroimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide.
What is the SMILES notation for 3-methyl-4-oxo-N-phenylmethoxy-2,6-dihydroimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide?
The canonical SMILES for 3-methyl-4-oxo-N-phenylmethoxy-2,6-dihydroimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide is CN1NN=C2C(C(=O)NOCc3ccccc3)=NCN2C1=O.
What is the InChIKey of 3-methyl-4-oxo-N-phenylmethoxy-2,6-dihydroimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide?
The InChIKey is OGZWBNGMBGEZLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N6O3/c1-18-13(21)19-8-14-10(11(19)15-17-18)12(20)16-22-7-9-5-3-2-4-6-9/h2-6,17H,7-8H2,1H3,(H,16,20).
What are the key properties of 3-methyl-4-oxo-N-phenylmethoxy-2,6-dihydroimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide?
3-methyl-4-oxo-N-phenylmethoxy-2,6-dihydroimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide has a molecular weight of 302.29 g/mol, XLogP of -0.17, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-oxo-N-phenylmethoxy-2,6-dihydroimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide is sourced from PubChem (CID 121286608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).