5,6-dimethyl-1-phenyl-2H-tetrazine;formamide

C11H15N5O — CID 175551730

IUPAC5,6-dimethyl-1-phenyl-2H-tetrazine;formamide
SMILESCC1=C(C)N(c2ccccc2)NN=N1.NC=O
InChIInChI=1S/C10H12N4.CH3NO/c1-8-9(2)14(13-12-11-8)10-6-4-3-5-7-10;2-1-3/h3-7H,1-2H3,(H,11,13);1H,(H2,2,3)
InChIKeyLDAOZTQOKHIUGF-UHFFFAOYSA-N
MW233.28 g/mol
LogP1.73
Rot. Bonds1

About 5,6-dimethyl-1-phenyl-2H-tetrazine;formamide

5,6-dimethyl-1-phenyl-2H-tetrazine;formamide (PubChem CID 175551730) has the molecular formula C11H15N5O and a molecular weight of 233.28 g/mol. Its IUPAC name is 5,6-dimethyl-1-phenyl-2H-tetrazine;formamide.

Molecular Properties

Compound Name5,6-dimethyl-1-phenyl-2H-tetrazine;formamide
PubChem CID175551730
Molecular FormulaC11H15N5O
Molecular Weight233.28 g/mol
Exact Mass233.13
IUPAC Name5,6-dimethyl-1-phenyl-2H-tetrazine;formamide
SMILESCC1=C(C)N(c2ccccc2)NN=N1.NC=O
InChIInChI=1S/C10H12N4.CH3NO/c1-8-9(2)14(13-12-11-8)10-6-4-3-5-7-10;2-1-3/h3-7H,1-2H3,(H,11,13);1H,(H2,2,3)
InChIKeyLDAOZTQOKHIUGF-UHFFFAOYSA-N
XLogP1.73
TPSA83.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.28
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-benzhydrylidene-1-phenyl-2H-tetrazole
CID 134873352
ethane;formamide;1-phenylethanamine
CID 154651145
2-methyl-3-phenylpyrrolo[2,1-f][1,2,4]triazin-4-one
CID 90102357
2,5-dimethyl-1-(1-phenylethyl)imidazo[4,5-b]pyrazine;formamide
CID 175078618
benzenesulfonic acid;formamide
CID 161208956
1,2-diethylbenzene;formamide
CID 157370947
tert-butyl 5-amino-4-methyl-3-phenyl-2H-triazole-1-carboxylate
CID 152540333
2,4-dimethyl-5-oxo-1-phenylpyrazole-3-carbaldehyde
CID 2394060
methyl formate;5-methyl-1-phenylimidazol-4-amine
CID 143034380
benzoic acid;formamide
CID 23295678
2,4,5-trimethyl-1-phenylpyrrole-3-carbaldehyde
CID 30030220
5-chloro-3-methyl-1-phenylpyrazole;formyl chloride
CID 175273197

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-1-phenyl-2H-tetrazine;formamide?
The IUPAC name of 5,6-dimethyl-1-phenyl-2H-tetrazine;formamide (CID 175551730) is 5,6-dimethyl-1-phenyl-2H-tetrazine;formamide.
What is the SMILES notation for 5,6-dimethyl-1-phenyl-2H-tetrazine;formamide?
The canonical SMILES for 5,6-dimethyl-1-phenyl-2H-tetrazine;formamide is CC1=C(C)N(c2ccccc2)NN=N1.NC=O.
What is the InChIKey of 5,6-dimethyl-1-phenyl-2H-tetrazine;formamide?
The InChIKey is LDAOZTQOKHIUGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4.CH3NO/c1-8-9(2)14(13-12-11-8)10-6-4-3-5-7-10;2-1-3/h3-7H,1-2H3,(H,11,13);1H,(H2,2,3).
What are the key properties of 5,6-dimethyl-1-phenyl-2H-tetrazine;formamide?
5,6-dimethyl-1-phenyl-2H-tetrazine;formamide has a molecular weight of 233.28 g/mol, XLogP of 1.73, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-1-phenyl-2H-tetrazine;formamide is sourced from PubChem (CID 175551730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).