N-[2-methyl-5-(tetrazol-1-yl)phenyl]-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide

C18H16N8O2 — CID 47047461

IUPACN-[2-methyl-5-(tetrazol-1-yl)phenyl]-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide
SMILESCc1ccc(-n2cnnn2)cc1NC(=O)CCn1nnc2ccccc2c1=O
InChIInChI=1S/C18H16N8O2/c1-12-6-7-13(26-11-19-22-24-26)10-16(12)20-17(27)8-9-25-18(28)14-4-2-3-5-15(14)21-23-25/h2-7,10-11H,8-9H2,1H3,(H,20,27)
InChIKeyYVZXMUDMNGCRLJ-UHFFFAOYSA-N
MW376.38 g/mol
LogP1.10
Rot. Bonds5

About N-[2-methyl-5-(tetrazol-1-yl)phenyl]-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide

N-[2-methyl-5-(tetrazol-1-yl)phenyl]-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide (PubChem CID 47047461) has the molecular formula C18H16N8O2 and a molecular weight of 376.38 g/mol. Its IUPAC name is N-[2-methyl-5-(tetrazol-1-yl)phenyl]-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide.

Molecular Properties

Compound NameN-[2-methyl-5-(tetrazol-1-yl)phenyl]-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide
PubChem CID47047461
Molecular FormulaC18H16N8O2
Molecular Weight376.38 g/mol
Exact Mass376.14
IUPAC NameN-[2-methyl-5-(tetrazol-1-yl)phenyl]-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide
SMILESCc1ccc(-n2cnnn2)cc1NC(=O)CCn1nnc2ccccc2c1=O
InChIInChI=1S/C18H16N8O2/c1-12-6-7-13(26-11-19-22-24-26)10-16(12)20-17(27)8-9-25-18(28)14-4-2-3-5-15(14)21-23-25/h2-7,10-11H,8-9H2,1H3,(H,20,27)
InChIKeyYVZXMUDMNGCRLJ-UHFFFAOYSA-N
XLogP1.10
TPSA120.48 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.38
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

N-[3-methyl-4-(tetrazol-1-yl)phenyl]-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide
CID 134044071
N-(2-methylphenyl)-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide
CID 39428140
5-hydroxy-N-[2-methyl-5-(tetrazol-1-yl)phenyl]pentanamide
CID 79198857
N-(2,4-dichlorophenyl)-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide
CID 4905507
3-(4-oxo-1,2,3-benzotriazin-3-yl)-N-(2-propan-2-yloxyphenyl)propanamide
CID 39498617
N-[2-methyl-5-(tetrazol-1-yl)phenyl]benzamide
CID 60789520
4-chloro-N-methyl-3-[3-(4-oxo-1,2,3-benzotriazin-3-yl)propanoylamino]benzamide
CID 87004588
N-(5-acetamido-2-methylphenyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 55691997
2-(tert-butylamino)-N-[2-methyl-5-(tetrazol-1-yl)phenyl]acetamide
CID 78923820
N-(2-chloro-4-fluorophenyl)-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide
CID 34803882
N-(4-bromo-2-fluorophenyl)-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide
CID 4901846
ethyl 3-[3-(4-oxo-1,2,3-benzotriazin-3-yl)propanoylamino]benzoate
CID 4901992

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-5-(tetrazol-1-yl)phenyl]-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide?
The IUPAC name of N-[2-methyl-5-(tetrazol-1-yl)phenyl]-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide (CID 47047461) is N-[2-methyl-5-(tetrazol-1-yl)phenyl]-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide.
What is the SMILES notation for N-[2-methyl-5-(tetrazol-1-yl)phenyl]-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide?
The canonical SMILES for N-[2-methyl-5-(tetrazol-1-yl)phenyl]-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide is Cc1ccc(-n2cnnn2)cc1NC(=O)CCn1nnc2ccccc2c1=O.
What is the InChIKey of N-[2-methyl-5-(tetrazol-1-yl)phenyl]-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide?
The InChIKey is YVZXMUDMNGCRLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N8O2/c1-12-6-7-13(26-11-19-22-24-26)10-16(12)20-17(27)8-9-25-18(28)14-4-2-3-5-15(14)21-23-25/h2-7,10-11H,8-9H2,1H3,(H,20,27).
What are the key properties of N-[2-methyl-5-(tetrazol-1-yl)phenyl]-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide?
N-[2-methyl-5-(tetrazol-1-yl)phenyl]-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide has a molecular weight of 376.38 g/mol, XLogP of 1.10, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-5-(tetrazol-1-yl)phenyl]-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide is sourced from PubChem (CID 47047461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).