3-methyl-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide;hydrate

C6H8N6O3 — CID 69172078

IUPAC3-methyl-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide;hydrate
SMILESCn1nnc2c(C(N)=O)ncn2c1=O.O
InChIInChI=1S/C6H6N6O2.H2O/c1-11-6(14)12-2-8-3(4(7)13)5(12)9-10-11;/h2H,1H3,(H2,7,13);1H2
InChIKeyJZONMYYXWDXNSX-UHFFFAOYSA-N
MW212.17 g/mol
LogP-2.90
Rot. Bonds1

About 3-methyl-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide;hydrate

3-methyl-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide;hydrate (PubChem CID 69172078) has the molecular formula C6H8N6O3 and a molecular weight of 212.17 g/mol. Its IUPAC name is 3-methyl-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide;hydrate.

Molecular Properties

Compound Name3-methyl-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide;hydrate
PubChem CID69172078
Molecular FormulaC6H8N6O3
Molecular Weight212.17 g/mol
Exact Mass212.07
IUPAC Name3-methyl-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide;hydrate
SMILESCn1nnc2c(C(N)=O)ncn2c1=O.O
InChIInChI=1S/C6H6N6O2.H2O/c1-11-6(14)12-2-8-3(4(7)13)5(12)9-10-11;/h2H,1H3,(H2,7,13);1H2
InChIKeyJZONMYYXWDXNSX-UHFFFAOYSA-N
XLogP-2.90
TPSA139.67 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.17
LogP ≤ 5-2.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide;hydrate?
The IUPAC name of 3-methyl-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide;hydrate (CID 69172078) is 3-methyl-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide;hydrate.
What is the SMILES notation for 3-methyl-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide;hydrate?
The canonical SMILES for 3-methyl-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide;hydrate is Cn1nnc2c(C(N)=O)ncn2c1=O.O.
What is the InChIKey of 3-methyl-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide;hydrate?
The InChIKey is JZONMYYXWDXNSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N6O2.H2O/c1-11-6(14)12-2-8-3(4(7)13)5(12)9-10-11;/h2H,1H3,(H2,7,13);1H2.
What are the key properties of 3-methyl-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide;hydrate?
3-methyl-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide;hydrate has a molecular weight of 212.17 g/mol, XLogP of -2.90, 1 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide;hydrate is sourced from PubChem (CID 69172078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).