8-(aminomethyl)-3-(fluoromethyl)imidazo[5,1-d][1,2,3,5]tetrazin-4-one

C6H7FN6O — CID 143820787

IUPAC8-(aminomethyl)-3-(fluoromethyl)imidazo[5,1-d][1,2,3,5]tetrazin-4-one
SMILESNCc1ncn2c(=O)n(CF)nnc12
InChIInChI=1S/C6H7FN6O/c7-2-13-6(14)12-3-9-4(1-8)5(12)10-11-13/h3H,1-2,8H2
InChIKeyGMDQFFSNKNFTIX-UHFFFAOYSA-N
MW198.16 g/mol
LogP-1.33
Rot. Bonds2

About 8-(aminomethyl)-3-(fluoromethyl)imidazo[5,1-d][1,2,3,5]tetrazin-4-one

8-(aminomethyl)-3-(fluoromethyl)imidazo[5,1-d][1,2,3,5]tetrazin-4-one (PubChem CID 143820787) has the molecular formula C6H7FN6O and a molecular weight of 198.16 g/mol. Its IUPAC name is 8-(aminomethyl)-3-(fluoromethyl)imidazo[5,1-d][1,2,3,5]tetrazin-4-one.

Molecular Properties

Compound Name8-(aminomethyl)-3-(fluoromethyl)imidazo[5,1-d][1,2,3,5]tetrazin-4-one
PubChem CID143820787
Molecular FormulaC6H7FN6O
Molecular Weight198.16 g/mol
Exact Mass198.07
IUPAC Name8-(aminomethyl)-3-(fluoromethyl)imidazo[5,1-d][1,2,3,5]tetrazin-4-one
SMILESNCc1ncn2c(=O)n(CF)nnc12
InChIInChI=1S/C6H7FN6O/c7-2-13-6(14)12-3-9-4(1-8)5(12)10-11-13/h3H,1-2,8H2
InChIKeyGMDQFFSNKNFTIX-UHFFFAOYSA-N
XLogP-1.33
TPSA91.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.16
LogP ≤ 5-1.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 8-(aminomethyl)-3-(fluoromethyl)imidazo[5,1-d][1,2,3,5]tetrazin-4-one?
The IUPAC name of 8-(aminomethyl)-3-(fluoromethyl)imidazo[5,1-d][1,2,3,5]tetrazin-4-one (CID 143820787) is 8-(aminomethyl)-3-(fluoromethyl)imidazo[5,1-d][1,2,3,5]tetrazin-4-one.
What is the SMILES notation for 8-(aminomethyl)-3-(fluoromethyl)imidazo[5,1-d][1,2,3,5]tetrazin-4-one?
The canonical SMILES for 8-(aminomethyl)-3-(fluoromethyl)imidazo[5,1-d][1,2,3,5]tetrazin-4-one is NCc1ncn2c(=O)n(CF)nnc12.
What is the InChIKey of 8-(aminomethyl)-3-(fluoromethyl)imidazo[5,1-d][1,2,3,5]tetrazin-4-one?
The InChIKey is GMDQFFSNKNFTIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7FN6O/c7-2-13-6(14)12-3-9-4(1-8)5(12)10-11-13/h3H,1-2,8H2.
What are the key properties of 8-(aminomethyl)-3-(fluoromethyl)imidazo[5,1-d][1,2,3,5]tetrazin-4-one?
8-(aminomethyl)-3-(fluoromethyl)imidazo[5,1-d][1,2,3,5]tetrazin-4-one has a molecular weight of 198.16 g/mol, XLogP of -1.33, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(aminomethyl)-3-(fluoromethyl)imidazo[5,1-d][1,2,3,5]tetrazin-4-one is sourced from PubChem (CID 143820787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).