N-(6-phenylpyridazin-3-yl)-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide

C18H13N7O — CID 71854091

IUPACN-(6-phenylpyridazin-3-yl)-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide
SMILESO=C(Nc1ccc(-c2ccccc2)nn1)c1ccnc(-n2cncn2)c1
InChIInChI=1S/C18H13N7O/c26-18(14-8-9-20-17(10-14)25-12-19-11-21-25)22-16-7-6-15(23-24-16)13-4-2-1-3-5-13/h1-12H,(H,22,24,26)
InChIKeyWGISLNKPEYVCAV-UHFFFAOYSA-N
MW343.35 g/mol
LogP2.37
Rot. Bonds4

About N-(6-phenylpyridazin-3-yl)-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide

N-(6-phenylpyridazin-3-yl)-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide (PubChem CID 71854091) has the molecular formula C18H13N7O and a molecular weight of 343.35 g/mol. Its IUPAC name is N-(6-phenylpyridazin-3-yl)-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(6-phenylpyridazin-3-yl)-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide
PubChem CID71854091
Molecular FormulaC18H13N7O
Molecular Weight343.35 g/mol
Exact Mass343.12
IUPAC NameN-(6-phenylpyridazin-3-yl)-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide
SMILESO=C(Nc1ccc(-c2ccccc2)nn1)c1ccnc(-n2cncn2)c1
InChIInChI=1S/C18H13N7O/c26-18(14-8-9-20-17(10-14)25-12-19-11-21-25)22-16-7-6-15(23-24-16)13-4-2-1-3-5-13/h1-12H,(H,22,24,26)
InChIKeyWGISLNKPEYVCAV-UHFFFAOYSA-N
XLogP2.37
TPSA98.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.35
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2-phenoxyphenyl)-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide
CID 60525572
2-(1,2,4-triazol-1-yl)-N-(3,3,3-trifluoro-1-phenylpropyl)pyridine-4-carboxamide
CID 47070462
N-(1-hydroxy-3-phenylpropan-2-yl)-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide
CID 109388013
N-[furan-2-yl(phenyl)methyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide
CID 51091733
N-(4-chloro-2,6-difluorophenyl)-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide
CID 154751807
N-[(2R)-2-(dimethylamino)-2-phenylethyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide
CID 94800245
N-[3-(pyrimidin-2-ylamino)propyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide
CID 51091827
N-(1-naphthalen-1-ylethyl)-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide
CID 51087859
N-[(4-ethoxyphenyl)-phenylmethyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide
CID 60526029
2-(1,2,4-triazol-1-yl)-N-[4-(trifluoromethylsulfanyl)phenyl]pyridine-4-carboxamide
CID 47071207
N-(9-ethylcarbazol-3-yl)-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide
CID 60526034
N-[(2R)-2-methyl-3-pyrazol-1-ylpropyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide
CID 94818182

Frequently Asked Questions

What is the IUPAC name of N-(6-phenylpyridazin-3-yl)-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide?
The IUPAC name of N-(6-phenylpyridazin-3-yl)-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide (CID 71854091) is N-(6-phenylpyridazin-3-yl)-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide.
What is the SMILES notation for N-(6-phenylpyridazin-3-yl)-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide?
The canonical SMILES for N-(6-phenylpyridazin-3-yl)-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide is O=C(Nc1ccc(-c2ccccc2)nn1)c1ccnc(-n2cncn2)c1.
What is the InChIKey of N-(6-phenylpyridazin-3-yl)-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide?
The InChIKey is WGISLNKPEYVCAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N7O/c26-18(14-8-9-20-17(10-14)25-12-19-11-21-25)22-16-7-6-15(23-24-16)13-4-2-1-3-5-13/h1-12H,(H,22,24,26).
What are the key properties of N-(6-phenylpyridazin-3-yl)-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide?
N-(6-phenylpyridazin-3-yl)-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide has a molecular weight of 343.35 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-phenylpyridazin-3-yl)-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide is sourced from PubChem (CID 71854091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).