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

C18H16N8O2 — CID 134044071

IUPACN-[3-methyl-4-(tetrazol-1-yl)phenyl]-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide
SMILESCc1cc(NC(=O)CCn2nnc3ccccc3c2=O)ccc1-n1cnnn1
InChIInChI=1S/C18H16N8O2/c1-12-10-13(6-7-16(12)26-11-19-22-24-26)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)
InChIKeyRQYQMPMWKWBDEV-UHFFFAOYSA-N
MW376.38 g/mol
LogP1.10
Rot. Bonds5

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

N-[3-methyl-4-(tetrazol-1-yl)phenyl]-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide (PubChem CID 134044071) has the molecular formula C18H16N8O2 and a molecular weight of 376.38 g/mol. Its IUPAC name is N-[3-methyl-4-(tetrazol-1-yl)phenyl]-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide.

Molecular Properties

Compound NameN-[3-methyl-4-(tetrazol-1-yl)phenyl]-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide
PubChem CID134044071
Molecular FormulaC18H16N8O2
Molecular Weight376.38 g/mol
Exact Mass376.14
IUPAC NameN-[3-methyl-4-(tetrazol-1-yl)phenyl]-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide
SMILESCc1cc(NC(=O)CCn2nnc3ccccc3c2=O)ccc1-n1cnnn1
InChIInChI=1S/C18H16N8O2/c1-12-10-13(6-7-16(12)26-11-19-22-24-26)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)
InChIKeyRQYQMPMWKWBDEV-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-[2-methyl-5-(tetrazol-1-yl)phenyl]-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide
CID 47047461
ethyl 3-[3-(4-oxo-1,2,3-benzotriazin-3-yl)propanoylamino]benzoate
CID 4901992
N-(3,4-dimethoxyphenyl)-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide
CID 4905024
N,N-diethyl-3-[3-(4-oxo-1,2,3-benzotriazin-3-yl)propanoylamino]benzamide
CID 39431762
N,N-diethyl-4-[3-(4-oxo-1,2,3-benzotriazin-3-yl)propanoylamino]benzamide
CID 34544457
N-(4-anilinophenyl)-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide
CID 29265855
N-(2-methylphenyl)-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide
CID 39428140
3-(4-oxo-1,2,3-benzotriazin-3-yl)-N-[3-(trifluoromethyl)phenyl]propanamide
CID 4903059
N-(3,5-dimethoxyphenyl)-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide
CID 4907081
2-amino-N-[3-methyl-4-(tetrazol-1-yl)phenyl]acetamide
CID 43713144
3-[3-(4-oxo-1,2,3-benzotriazin-3-yl)propanoylamino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 55447993
N-(5-bromonaphthalen-2-yl)-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide
CID 146022046

Frequently Asked Questions

What is the IUPAC name of N-[3-methyl-4-(tetrazol-1-yl)phenyl]-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide?
The IUPAC name of N-[3-methyl-4-(tetrazol-1-yl)phenyl]-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide (CID 134044071) is N-[3-methyl-4-(tetrazol-1-yl)phenyl]-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide.
What is the SMILES notation for N-[3-methyl-4-(tetrazol-1-yl)phenyl]-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide?
The canonical SMILES for N-[3-methyl-4-(tetrazol-1-yl)phenyl]-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide is Cc1cc(NC(=O)CCn2nnc3ccccc3c2=O)ccc1-n1cnnn1.
What is the InChIKey of N-[3-methyl-4-(tetrazol-1-yl)phenyl]-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide?
The InChIKey is RQYQMPMWKWBDEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N8O2/c1-12-10-13(6-7-16(12)26-11-19-22-24-26)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-[3-methyl-4-(tetrazol-1-yl)phenyl]-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide?
N-[3-methyl-4-(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-[3-methyl-4-(tetrazol-1-yl)phenyl]-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide is sourced from PubChem (CID 134044071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).