3-methyl-8-(5-methyl-1,3-oxazol-2-yl)imidazo[5,1-d][1,2,3,5]tetrazin-4-one

C9H8N6O2 — CID 146370519

IUPAC3-methyl-8-(5-methyl-1,3-oxazol-2-yl)imidazo[5,1-d][1,2,3,5]tetrazin-4-one
SMILESCc1cnc(-c2ncn3c(=O)n(C)nnc23)o1
InChIInChI=1S/C9H8N6O2/c1-5-3-10-8(17-5)6-7-12-13-14(2)9(16)15(7)4-11-6/h3-4H,1-2H3
InChIKeyBVQQVSPFQSNCHV-UHFFFAOYSA-N
MW232.20 g/mol
LogP-0.21
Rot. Bonds1

About 3-methyl-8-(5-methyl-1,3-oxazol-2-yl)imidazo[5,1-d][1,2,3,5]tetrazin-4-one

3-methyl-8-(5-methyl-1,3-oxazol-2-yl)imidazo[5,1-d][1,2,3,5]tetrazin-4-one (PubChem CID 146370519) has the molecular formula C9H8N6O2 and a molecular weight of 232.20 g/mol. Its IUPAC name is 3-methyl-8-(5-methyl-1,3-oxazol-2-yl)imidazo[5,1-d][1,2,3,5]tetrazin-4-one.

Molecular Properties

Compound Name3-methyl-8-(5-methyl-1,3-oxazol-2-yl)imidazo[5,1-d][1,2,3,5]tetrazin-4-one
PubChem CID146370519
Molecular FormulaC9H8N6O2
Molecular Weight232.20 g/mol
Exact Mass232.07
IUPAC Name3-methyl-8-(5-methyl-1,3-oxazol-2-yl)imidazo[5,1-d][1,2,3,5]tetrazin-4-one
SMILESCc1cnc(-c2ncn3c(=O)n(C)nnc23)o1
InChIInChI=1S/C9H8N6O2/c1-5-3-10-8(17-5)6-7-12-13-14(2)9(16)15(7)4-11-6/h3-4H,1-2H3
InChIKeyBVQQVSPFQSNCHV-UHFFFAOYSA-N
XLogP-0.21
TPSA91.11 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.20
LogP ≤ 5-0.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-8-(5-methyl-1,3-oxazol-2-yl)imidazo[5,1-d][1,2,3,5]tetrazin-4-one?
The IUPAC name of 3-methyl-8-(5-methyl-1,3-oxazol-2-yl)imidazo[5,1-d][1,2,3,5]tetrazin-4-one (CID 146370519) is 3-methyl-8-(5-methyl-1,3-oxazol-2-yl)imidazo[5,1-d][1,2,3,5]tetrazin-4-one.
What is the SMILES notation for 3-methyl-8-(5-methyl-1,3-oxazol-2-yl)imidazo[5,1-d][1,2,3,5]tetrazin-4-one?
The canonical SMILES for 3-methyl-8-(5-methyl-1,3-oxazol-2-yl)imidazo[5,1-d][1,2,3,5]tetrazin-4-one is Cc1cnc(-c2ncn3c(=O)n(C)nnc23)o1.
What is the InChIKey of 3-methyl-8-(5-methyl-1,3-oxazol-2-yl)imidazo[5,1-d][1,2,3,5]tetrazin-4-one?
The InChIKey is BVQQVSPFQSNCHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N6O2/c1-5-3-10-8(17-5)6-7-12-13-14(2)9(16)15(7)4-11-6/h3-4H,1-2H3.
What are the key properties of 3-methyl-8-(5-methyl-1,3-oxazol-2-yl)imidazo[5,1-d][1,2,3,5]tetrazin-4-one?
3-methyl-8-(5-methyl-1,3-oxazol-2-yl)imidazo[5,1-d][1,2,3,5]tetrazin-4-one has a molecular weight of 232.20 g/mol, XLogP of -0.21, 1 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-8-(5-methyl-1,3-oxazol-2-yl)imidazo[5,1-d][1,2,3,5]tetrazin-4-one is sourced from PubChem (CID 146370519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).