N-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-4-(4-oxo-1,2,3-benzotriazin-3-yl)butanamide

C16H17N7O2 — CID 71707880

IUPACN-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-4-(4-oxo-1,2,3-benzotriazin-3-yl)butanamide
SMILESO=C(CCCn1nnc2ccccc2c1=O)Nc1n[nH]c(C2CC2)n1
InChIInChI=1S/C16H17N7O2/c24-13(17-16-18-14(20-21-16)10-7-8-10)6-3-9-23-15(25)11-4-1-2-5-12(11)19-22-23/h1-2,4-5,10H,3,6-9H2,(H2,17,18,20,21,24)
InChIKeyMERKPFLTAPXMGP-UHFFFAOYSA-N
MW339.36 g/mol
LogP1.21
Rot. Bonds6

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

N-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-4-(4-oxo-1,2,3-benzotriazin-3-yl)butanamide (PubChem CID 71707880) has the molecular formula C16H17N7O2 and a molecular weight of 339.36 g/mol. Its IUPAC name is N-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-4-(4-oxo-1,2,3-benzotriazin-3-yl)butanamide.

Molecular Properties

Compound NameN-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-4-(4-oxo-1,2,3-benzotriazin-3-yl)butanamide
PubChem CID71707880
Molecular FormulaC16H17N7O2
Molecular Weight339.36 g/mol
Exact Mass339.14
IUPAC NameN-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-4-(4-oxo-1,2,3-benzotriazin-3-yl)butanamide
SMILESO=C(CCCn1nnc2ccccc2c1=O)Nc1n[nH]c(C2CC2)n1
InChIInChI=1S/C16H17N7O2/c24-13(17-16-18-14(20-21-16)10-7-8-10)6-3-9-23-15(25)11-4-1-2-5-12(11)19-22-23/h1-2,4-5,10H,3,6-9H2,(H2,17,18,20,21,24)
InChIKeyMERKPFLTAPXMGP-UHFFFAOYSA-N
XLogP1.21
TPSA118.45 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.36
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-4-(4-oxo-1,2,3-benzotriazin-3-yl)butanamide with MolForge

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Related Compounds

N-(1H-benzimidazol-2-yl)-4-(4-oxo-1,2,3-benzotriazin-3-yl)butanamide
CID 4906819
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6-(4-oxo-1,2,3-benzotriazin-3-yl)-N-(1H-1,2,4-triazol-5-yl)hexanamide
CID 71709335
N-[5-(oxolan-2-yl)-1H-1,2,4-triazol-3-yl]-4-(4-oxoquinazolin-3-yl)butanamide
CID 71703140
N-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)-4-pyrrol-1-ylbutanamide
CID 127254482
N-[4-(dimethylamino)phenyl]-4-(4-oxo-1,2,3-benzotriazin-3-yl)butanamide
CID 4909113
4-(4-oxo-1,2,3-benzotriazin-3-yl)butanoate
CID 7061910
2-[6-(4-oxo-1,2,3-benzotriazin-3-yl)hexanoylamino]benzamide
CID 4905480
methyl 2-[4-(4-oxo-1,2,3-benzotriazin-3-yl)butanoylamino]benzoate
CID 4974103
N-(3-methyl-2-pyridinyl)-4-(4-oxo-1,2,3-benzotriazin-3-yl)butanamide
CID 51049182
N-[(2R)-1-hydroxy-3-methylbutan-2-yl]-4-(4-oxo-1,2,3-benzotriazin-3-yl)butanamide
CID 124844233
3-(4-oxo-1,2,3-benzotriazin-3-yl)-N-piperidin-4-ylpropanamide
CID 119386440

Frequently Asked Questions

What is the IUPAC name of N-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-4-(4-oxo-1,2,3-benzotriazin-3-yl)butanamide?
The IUPAC name of N-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-4-(4-oxo-1,2,3-benzotriazin-3-yl)butanamide (CID 71707880) is N-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-4-(4-oxo-1,2,3-benzotriazin-3-yl)butanamide.
What is the SMILES notation for N-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-4-(4-oxo-1,2,3-benzotriazin-3-yl)butanamide?
The canonical SMILES for N-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-4-(4-oxo-1,2,3-benzotriazin-3-yl)butanamide is O=C(CCCn1nnc2ccccc2c1=O)Nc1n[nH]c(C2CC2)n1.
What is the InChIKey of N-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-4-(4-oxo-1,2,3-benzotriazin-3-yl)butanamide?
The InChIKey is MERKPFLTAPXMGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N7O2/c24-13(17-16-18-14(20-21-16)10-7-8-10)6-3-9-23-15(25)11-4-1-2-5-12(11)19-22-23/h1-2,4-5,10H,3,6-9H2,(H2,17,18,20,21,24).
What are the key properties of N-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-4-(4-oxo-1,2,3-benzotriazin-3-yl)butanamide?
N-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-4-(4-oxo-1,2,3-benzotriazin-3-yl)butanamide has a molecular weight of 339.36 g/mol, XLogP of 1.21, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-4-(4-oxo-1,2,3-benzotriazin-3-yl)butanamide is sourced from PubChem (CID 71707880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).