N-[2-(1-methyl-6-oxopyridazin-3-yl)phenyl]-2H-benzotriazole-5-carboxamide

C18H14N6O2 — CID 71805064

IUPACN-[2-(1-methyl-6-oxopyridazin-3-yl)phenyl]-2H-benzotriazole-5-carboxamide
SMILESCn1nc(-c2ccccc2NC(=O)c2ccc3n[nH]nc3c2)ccc1=O
InChIInChI=1S/C18H14N6O2/c1-24-17(25)9-8-14(22-24)12-4-2-3-5-13(12)19-18(26)11-6-7-15-16(10-11)21-23-20-15/h2-10H,1H3,(H,19,26)(H,20,21,23)
InChIKeySLIMKEVKAHBEGF-UHFFFAOYSA-N
MW346.35 g/mol
LogP1.97
Rot. Bonds3

About N-[2-(1-methyl-6-oxopyridazin-3-yl)phenyl]-2H-benzotriazole-5-carboxamide

N-[2-(1-methyl-6-oxopyridazin-3-yl)phenyl]-2H-benzotriazole-5-carboxamide (PubChem CID 71805064) has the molecular formula C18H14N6O2 and a molecular weight of 346.35 g/mol. Its IUPAC name is N-[2-(1-methyl-6-oxopyridazin-3-yl)phenyl]-2H-benzotriazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(1-methyl-6-oxopyridazin-3-yl)phenyl]-2H-benzotriazole-5-carboxamide
PubChem CID71805064
Molecular FormulaC18H14N6O2
Molecular Weight346.35 g/mol
Exact Mass346.12
IUPAC NameN-[2-(1-methyl-6-oxopyridazin-3-yl)phenyl]-2H-benzotriazole-5-carboxamide
SMILESCn1nc(-c2ccccc2NC(=O)c2ccc3n[nH]nc3c2)ccc1=O
InChIInChI=1S/C18H14N6O2/c1-24-17(25)9-8-14(22-24)12-4-2-3-5-13(12)19-18(26)11-6-7-15-16(10-11)21-23-20-15/h2-10H,1H3,(H,19,26)(H,20,21,23)
InChIKeySLIMKEVKAHBEGF-UHFFFAOYSA-N
XLogP1.97
TPSA105.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.35
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1-methyl-6-oxopyridazin-3-yl)phenyl]-2H-benzotriazole-5-carboxamide?
The IUPAC name of N-[2-(1-methyl-6-oxopyridazin-3-yl)phenyl]-2H-benzotriazole-5-carboxamide (CID 71805064) is N-[2-(1-methyl-6-oxopyridazin-3-yl)phenyl]-2H-benzotriazole-5-carboxamide.
What is the SMILES notation for N-[2-(1-methyl-6-oxopyridazin-3-yl)phenyl]-2H-benzotriazole-5-carboxamide?
The canonical SMILES for N-[2-(1-methyl-6-oxopyridazin-3-yl)phenyl]-2H-benzotriazole-5-carboxamide is Cn1nc(-c2ccccc2NC(=O)c2ccc3n[nH]nc3c2)ccc1=O.
What is the InChIKey of N-[2-(1-methyl-6-oxopyridazin-3-yl)phenyl]-2H-benzotriazole-5-carboxamide?
The InChIKey is SLIMKEVKAHBEGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N6O2/c1-24-17(25)9-8-14(22-24)12-4-2-3-5-13(12)19-18(26)11-6-7-15-16(10-11)21-23-20-15/h2-10H,1H3,(H,19,26)(H,20,21,23).
What are the key properties of N-[2-(1-methyl-6-oxopyridazin-3-yl)phenyl]-2H-benzotriazole-5-carboxamide?
N-[2-(1-methyl-6-oxopyridazin-3-yl)phenyl]-2H-benzotriazole-5-carboxamide has a molecular weight of 346.35 g/mol, XLogP of 1.97, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-methyl-6-oxopyridazin-3-yl)phenyl]-2H-benzotriazole-5-carboxamide is sourced from PubChem (CID 71805064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).