4-(6-methyl-1,2,4,5-tetrazin-3-yl)benzamide

C10H9N5O — CID 121370392

IUPAC4-(6-methyl-1,2,4,5-tetrazin-3-yl)benzamide
SMILESCc1nnc(-c2ccc(C(N)=O)cc2)nn1
InChIInChI=1S/C10H9N5O/c1-6-12-14-10(15-13-6)8-4-2-7(3-5-8)9(11)16/h2-5H,1H3,(H2,11,16)
InChIKeyHTMVBTYJLUWJTQ-UHFFFAOYSA-N
MW215.22 g/mol
LogP0.34
Rot. Bonds2

About 4-(6-methyl-1,2,4,5-tetrazin-3-yl)benzamide

4-(6-methyl-1,2,4,5-tetrazin-3-yl)benzamide (PubChem CID 121370392) has the molecular formula C10H9N5O and a molecular weight of 215.22 g/mol. Its IUPAC name is 4-(6-methyl-1,2,4,5-tetrazin-3-yl)benzamide.

Molecular Properties

Compound Name4-(6-methyl-1,2,4,5-tetrazin-3-yl)benzamide
PubChem CID121370392
Molecular FormulaC10H9N5O
Molecular Weight215.22 g/mol
Exact Mass215.08
IUPAC Name4-(6-methyl-1,2,4,5-tetrazin-3-yl)benzamide
SMILESCc1nnc(-c2ccc(C(N)=O)cc2)nn1
InChIInChI=1S/C10H9N5O/c1-6-12-14-10(15-13-6)8-4-2-7(3-5-8)9(11)16/h2-5H,1H3,(H2,11,16)
InChIKeyHTMVBTYJLUWJTQ-UHFFFAOYSA-N
XLogP0.34
TPSA94.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.22
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethane;4-(6-methyl-1,2,4,5-tetrazin-3-yl)benzoic acid
CID 176966072
4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenol
CID 135712912
4-methyl-N-[[4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenyl]methyl]benzamide
CID 167282073
4-[[4-(4-carbamoylphenoxy)-6-(4-methylphenoxy)-1,3,5-triazin-2-yl]oxy]benzamide
CID 162501088
potassium;benzene-1,4-dicarboxamide;hydride
CID 174539787
3-[2-[2-[2-[2-[2-[2-[2-[2-[4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanamide
CID 170048013
4-(4-ethoxyphenyl)benzamide
CID 163572533
4-[6-(4-carboxyphenyl)-1,2,4,5-tetrazin-3-yl]benzoic acid;methylsulfinylmethane
CID 139177103
4-(4-ethylphenyl)benzamide
CID 53425878
N-(2-hydroxyethyl)-2-[4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenyl]acetamide
CID 129273900
4-aminobenzamide;methanol
CID 144801245
4-(3,4-dichlorophenyl)benzamide
CID 141087497

Frequently Asked Questions

What is the IUPAC name of 4-(6-methyl-1,2,4,5-tetrazin-3-yl)benzamide?
The IUPAC name of 4-(6-methyl-1,2,4,5-tetrazin-3-yl)benzamide (CID 121370392) is 4-(6-methyl-1,2,4,5-tetrazin-3-yl)benzamide.
What is the SMILES notation for 4-(6-methyl-1,2,4,5-tetrazin-3-yl)benzamide?
The canonical SMILES for 4-(6-methyl-1,2,4,5-tetrazin-3-yl)benzamide is Cc1nnc(-c2ccc(C(N)=O)cc2)nn1.
What is the InChIKey of 4-(6-methyl-1,2,4,5-tetrazin-3-yl)benzamide?
The InChIKey is HTMVBTYJLUWJTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N5O/c1-6-12-14-10(15-13-6)8-4-2-7(3-5-8)9(11)16/h2-5H,1H3,(H2,11,16).
What are the key properties of 4-(6-methyl-1,2,4,5-tetrazin-3-yl)benzamide?
4-(6-methyl-1,2,4,5-tetrazin-3-yl)benzamide has a molecular weight of 215.22 g/mol, XLogP of 0.34, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-methyl-1,2,4,5-tetrazin-3-yl)benzamide is sourced from PubChem (CID 121370392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).