6-(4-oxo-1,2,3-benzotriazin-3-yl)-N-(1H-1,2,4-triazol-5-yl)hexanamide

C15H17N7O2 — CID 71709335

IUPAC6-(4-oxo-1,2,3-benzotriazin-3-yl)-N-(1H-1,2,4-triazol-5-yl)hexanamide
SMILESO=C(CCCCCn1nnc2ccccc2c1=O)Nc1ncn[nH]1
InChIInChI=1S/C15H17N7O2/c23-13(18-15-16-10-17-20-15)8-2-1-5-9-22-14(24)11-6-3-4-7-12(11)19-21-22/h3-4,6-7,10H,1-2,5,8-9H2,(H2,16,17,18,20,23)
InChIKeyGWFANKOVFXDNIV-UHFFFAOYSA-N
MW327.35 g/mol
LogP1.11
Rot. Bonds7

About 6-(4-oxo-1,2,3-benzotriazin-3-yl)-N-(1H-1,2,4-triazol-5-yl)hexanamide

6-(4-oxo-1,2,3-benzotriazin-3-yl)-N-(1H-1,2,4-triazol-5-yl)hexanamide (PubChem CID 71709335) has the molecular formula C15H17N7O2 and a molecular weight of 327.35 g/mol. Its IUPAC name is 6-(4-oxo-1,2,3-benzotriazin-3-yl)-N-(1H-1,2,4-triazol-5-yl)hexanamide.

Molecular Properties

Compound Name6-(4-oxo-1,2,3-benzotriazin-3-yl)-N-(1H-1,2,4-triazol-5-yl)hexanamide
PubChem CID71709335
Molecular FormulaC15H17N7O2
Molecular Weight327.35 g/mol
Exact Mass327.14
IUPAC Name6-(4-oxo-1,2,3-benzotriazin-3-yl)-N-(1H-1,2,4-triazol-5-yl)hexanamide
SMILESO=C(CCCCCn1nnc2ccccc2c1=O)Nc1ncn[nH]1
InChIInChI=1S/C15H17N7O2/c23-13(18-15-16-10-17-20-15)8-2-1-5-9-22-14(24)11-6-3-4-7-12(11)19-21-22/h3-4,6-7,10H,1-2,5,8-9H2,(H2,16,17,18,20,23)
InChIKeyGWFANKOVFXDNIV-UHFFFAOYSA-N
XLogP1.11
TPSA118.45 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.35
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-(1H-benzimidazol-2-yl)-4-(4-oxo-1,2,3-benzotriazin-3-yl)butanamide
CID 4906819
2-[6-(4-oxo-1,2,3-benzotriazin-3-yl)hexanoylamino]benzamide
CID 4905480
4-(4-oxo-1,2,3-benzotriazin-3-yl)-N-pyridin-2-ylbutanamide
CID 4906393
6-(4-oxo-1,2,3-benzotriazin-3-yl)-N-(pyridin-2-ylmethyl)hexanamide
CID 45493872
N-(3-methyl-2-pyridinyl)-4-(4-oxo-1,2,3-benzotriazin-3-yl)butanamide
CID 51049182
6-(4-oxo-1,2,3-benzotriazin-3-yl)-N-[4-(trifluoromethoxy)phenyl]hexanamide
CID 4909778
N-(1,3-benzodioxol-5-yl)-6-(4-oxo-1,2,3-benzotriazin-3-yl)hexanamide
CID 4975940
N-[4-(dimethylamino)phenyl]-4-(4-oxo-1,2,3-benzotriazin-3-yl)butanamide
CID 4909113
(2R)-3-methyl-2-[6-(4-oxo-1,2,3-benzotriazin-3-yl)hexanoylamino]butanoic acid
CID 92815601
N-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-4-(4-oxo-1,2,3-benzotriazin-3-yl)butanamide
CID 71707880
3-[6-(azepan-1-yl)-6-oxohexyl]-1,2,3-benzotriazin-4-one
CID 4911322
(2S)-2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-(1H-1,2,4-triazol-5-yl)propanamide
CID 71829428

Frequently Asked Questions

What is the IUPAC name of 6-(4-oxo-1,2,3-benzotriazin-3-yl)-N-(1H-1,2,4-triazol-5-yl)hexanamide?
The IUPAC name of 6-(4-oxo-1,2,3-benzotriazin-3-yl)-N-(1H-1,2,4-triazol-5-yl)hexanamide (CID 71709335) is 6-(4-oxo-1,2,3-benzotriazin-3-yl)-N-(1H-1,2,4-triazol-5-yl)hexanamide.
What is the SMILES notation for 6-(4-oxo-1,2,3-benzotriazin-3-yl)-N-(1H-1,2,4-triazol-5-yl)hexanamide?
The canonical SMILES for 6-(4-oxo-1,2,3-benzotriazin-3-yl)-N-(1H-1,2,4-triazol-5-yl)hexanamide is O=C(CCCCCn1nnc2ccccc2c1=O)Nc1ncn[nH]1.
What is the InChIKey of 6-(4-oxo-1,2,3-benzotriazin-3-yl)-N-(1H-1,2,4-triazol-5-yl)hexanamide?
The InChIKey is GWFANKOVFXDNIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N7O2/c23-13(18-15-16-10-17-20-15)8-2-1-5-9-22-14(24)11-6-3-4-7-12(11)19-21-22/h3-4,6-7,10H,1-2,5,8-9H2,(H2,16,17,18,20,23).
What are the key properties of 6-(4-oxo-1,2,3-benzotriazin-3-yl)-N-(1H-1,2,4-triazol-5-yl)hexanamide?
6-(4-oxo-1,2,3-benzotriazin-3-yl)-N-(1H-1,2,4-triazol-5-yl)hexanamide has a molecular weight of 327.35 g/mol, XLogP of 1.11, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-oxo-1,2,3-benzotriazin-3-yl)-N-(1H-1,2,4-triazol-5-yl)hexanamide is sourced from PubChem (CID 71709335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).