8-[(Z)-methoxyiminomethyl]-3-methylimidazo[5,1-d][1,2,3,5]tetrazin-4-one

C7H8N6O2 — CID 59835279

IUPAC8-[(Z)-methoxyiminomethyl]-3-methylimidazo[5,1-d][1,2,3,5]tetrazin-4-one
SMILESCO/N=C\c1ncn2c(=O)n(C)nnc12
InChIInChI=1S/C7H8N6O2/c1-12-7(14)13-4-8-5(3-9-15-2)6(13)10-11-12/h3-4H,1-2H3/b9-3-
InChIKeyNGOJCIZWCJJDDH-OQFOIZHKSA-N
MW208.18 g/mol
LogP-1.20
Rot. Bonds2

About 8-[(Z)-methoxyiminomethyl]-3-methylimidazo[5,1-d][1,2,3,5]tetrazin-4-one

8-[(Z)-methoxyiminomethyl]-3-methylimidazo[5,1-d][1,2,3,5]tetrazin-4-one (PubChem CID 59835279) has the molecular formula C7H8N6O2 and a molecular weight of 208.18 g/mol. Its IUPAC name is 8-[(Z)-methoxyiminomethyl]-3-methylimidazo[5,1-d][1,2,3,5]tetrazin-4-one.

Molecular Properties

Compound Name8-[(Z)-methoxyiminomethyl]-3-methylimidazo[5,1-d][1,2,3,5]tetrazin-4-one
PubChem CID59835279
Molecular FormulaC7H8N6O2
Molecular Weight208.18 g/mol
Exact Mass208.07
IUPAC Name8-[(Z)-methoxyiminomethyl]-3-methylimidazo[5,1-d][1,2,3,5]tetrazin-4-one
SMILESCO/N=C\c1ncn2c(=O)n(C)nnc12
InChIInChI=1S/C7H8N6O2/c1-12-7(14)13-4-8-5(3-9-15-2)6(13)10-11-12/h3-4H,1-2H3/b9-3-
InChIKeyNGOJCIZWCJJDDH-OQFOIZHKSA-N
XLogP-1.20
TPSA86.67 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.18
LogP ≤ 5-1.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-[(Z)-methoxyiminomethyl]-3-methylimidazo[5,1-d][1,2,3,5]tetrazin-4-one?
The IUPAC name of 8-[(Z)-methoxyiminomethyl]-3-methylimidazo[5,1-d][1,2,3,5]tetrazin-4-one (CID 59835279) is 8-[(Z)-methoxyiminomethyl]-3-methylimidazo[5,1-d][1,2,3,5]tetrazin-4-one.
What is the SMILES notation for 8-[(Z)-methoxyiminomethyl]-3-methylimidazo[5,1-d][1,2,3,5]tetrazin-4-one?
The canonical SMILES for 8-[(Z)-methoxyiminomethyl]-3-methylimidazo[5,1-d][1,2,3,5]tetrazin-4-one is CO/N=C\c1ncn2c(=O)n(C)nnc12.
What is the InChIKey of 8-[(Z)-methoxyiminomethyl]-3-methylimidazo[5,1-d][1,2,3,5]tetrazin-4-one?
The InChIKey is NGOJCIZWCJJDDH-OQFOIZHKSA-N. The full InChI is InChI=1S/C7H8N6O2/c1-12-7(14)13-4-8-5(3-9-15-2)6(13)10-11-12/h3-4H,1-2H3/b9-3-.
What are the key properties of 8-[(Z)-methoxyiminomethyl]-3-methylimidazo[5,1-d][1,2,3,5]tetrazin-4-one?
8-[(Z)-methoxyiminomethyl]-3-methylimidazo[5,1-d][1,2,3,5]tetrazin-4-one has a molecular weight of 208.18 g/mol, XLogP of -1.20, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(Z)-methoxyiminomethyl]-3-methylimidazo[5,1-d][1,2,3,5]tetrazin-4-one is sourced from PubChem (CID 59835279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).