3-[(2R)-1-(5-methyltetrazol-2-yl)propan-2-yl]-8-[(2R)-1-(tetrazol-2-yl)propan-2-yl]pyrimido[4,5-g][1,2,3]benzotriazine-4,9-dione

C18H19N13O2 — CID 25234353

IUPAC3-[(2R)-1-(5-methyltetrazol-2-yl)propan-2-yl]-8-[(2R)-1-(tetrazol-2-yl)propan-2-yl]pyrimido[4,5-g][1,2,3]benzotriazine-4,9-dione
SMILESCc1nnn(C[C@@H](C)n2nnc3cc4c(=O)n([C@H](C)Cn5ncnn5)cnc4cc3c2=O)n1
InChIInChI=1S/C18H19N13O2/c1-10(6-29-21-8-20-25-29)28-9-19-15-4-14-16(5-13(15)17(28)32)23-27-31(18(14)33)11(2)7-30-24-12(3)22-26-30/h4-5,8-11H,6-7H2,1-3H3/t10-,11-/m1/s1
InChIKeyZNSYQHMRPSDUAV-GHMZBOCLSA-N
MW449.44 g/mol
LogP-0.69
Rot. Bonds6

About 3-[(2R)-1-(5-methyltetrazol-2-yl)propan-2-yl]-8-[(2R)-1-(tetrazol-2-yl)propan-2-yl]pyrimido[4,5-g][1,2,3]benzotriazine-4,9-dione

3-[(2R)-1-(5-methyltetrazol-2-yl)propan-2-yl]-8-[(2R)-1-(tetrazol-2-yl)propan-2-yl]pyrimido[4,5-g][1,2,3]benzotriazine-4,9-dione (PubChem CID 25234353) has the molecular formula C18H19N13O2 and a molecular weight of 449.44 g/mol. Its IUPAC name is 3-[(2R)-1-(5-methyltetrazol-2-yl)propan-2-yl]-8-[(2R)-1-(tetrazol-2-yl)propan-2-yl]pyrimido[4,5-g][1,2,3]benzotriazine-4,9-dione.

Molecular Properties

Compound Name3-[(2R)-1-(5-methyltetrazol-2-yl)propan-2-yl]-8-[(2R)-1-(tetrazol-2-yl)propan-2-yl]pyrimido[4,5-g][1,2,3]benzotriazine-4,9-dione
PubChem CID25234353
Molecular FormulaC18H19N13O2
Molecular Weight449.44 g/mol
Exact Mass449.18
IUPAC Name3-[(2R)-1-(5-methyltetrazol-2-yl)propan-2-yl]-8-[(2R)-1-(tetrazol-2-yl)propan-2-yl]pyrimido[4,5-g][1,2,3]benzotriazine-4,9-dione
SMILESCc1nnn(C[C@@H](C)n2nnc3cc4c(=O)n([C@H](C)Cn5ncnn5)cnc4cc3c2=O)n1
InChIInChI=1S/C18H19N13O2/c1-10(6-29-21-8-20-25-29)28-9-19-15-4-14-16(5-13(15)17(28)32)23-27-31(18(14)33)11(2)7-30-24-12(3)22-26-30/h4-5,8-11H,6-7H2,1-3H3/t10-,11-/m1/s1
InChIKeyZNSYQHMRPSDUAV-GHMZBOCLSA-N
XLogP-0.69
TPSA169.87 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.44
LogP ≤ 5-0.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 3-[(2R)-1-(5-methyltetrazol-2-yl)propan-2-yl]-8-[(2R)-1-(tetrazol-2-yl)propan-2-yl]pyrimido[4,5-g][1,2,3]benzotriazine-4,9-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[(2R)-1-(5-methyltetrazol-2-yl)propan-2-yl]-8-[(2R)-1-(tetrazol-2-yl)propan-2-yl]pyrimido[4,5-g][1,2,3]benzotriazine-4,9-dione?
The IUPAC name of 3-[(2R)-1-(5-methyltetrazol-2-yl)propan-2-yl]-8-[(2R)-1-(tetrazol-2-yl)propan-2-yl]pyrimido[4,5-g][1,2,3]benzotriazine-4,9-dione (CID 25234353) is 3-[(2R)-1-(5-methyltetrazol-2-yl)propan-2-yl]-8-[(2R)-1-(tetrazol-2-yl)propan-2-yl]pyrimido[4,5-g][1,2,3]benzotriazine-4,9-dione.
What is the SMILES notation for 3-[(2R)-1-(5-methyltetrazol-2-yl)propan-2-yl]-8-[(2R)-1-(tetrazol-2-yl)propan-2-yl]pyrimido[4,5-g][1,2,3]benzotriazine-4,9-dione?
The canonical SMILES for 3-[(2R)-1-(5-methyltetrazol-2-yl)propan-2-yl]-8-[(2R)-1-(tetrazol-2-yl)propan-2-yl]pyrimido[4,5-g][1,2,3]benzotriazine-4,9-dione is Cc1nnn(C[C@@H](C)n2nnc3cc4c(=O)n([C@H](C)Cn5ncnn5)cnc4cc3c2=O)n1.
What is the InChIKey of 3-[(2R)-1-(5-methyltetrazol-2-yl)propan-2-yl]-8-[(2R)-1-(tetrazol-2-yl)propan-2-yl]pyrimido[4,5-g][1,2,3]benzotriazine-4,9-dione?
The InChIKey is ZNSYQHMRPSDUAV-GHMZBOCLSA-N. The full InChI is InChI=1S/C18H19N13O2/c1-10(6-29-21-8-20-25-29)28-9-19-15-4-14-16(5-13(15)17(28)32)23-27-31(18(14)33)11(2)7-30-24-12(3)22-26-30/h4-5,8-11H,6-7H2,1-3H3/t10-,11-/m1/s1.
What are the key properties of 3-[(2R)-1-(5-methyltetrazol-2-yl)propan-2-yl]-8-[(2R)-1-(tetrazol-2-yl)propan-2-yl]pyrimido[4,5-g][1,2,3]benzotriazine-4,9-dione?
3-[(2R)-1-(5-methyltetrazol-2-yl)propan-2-yl]-8-[(2R)-1-(tetrazol-2-yl)propan-2-yl]pyrimido[4,5-g][1,2,3]benzotriazine-4,9-dione has a molecular weight of 449.44 g/mol, XLogP of -0.69, 6 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R)-1-(5-methyltetrazol-2-yl)propan-2-yl]-8-[(2R)-1-(tetrazol-2-yl)propan-2-yl]pyrimido[4,5-g][1,2,3]benzotriazine-4,9-dione is sourced from PubChem (CID 25234353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).