1-methyl-N-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]triazole-4-carboxamide

C17H14N8O2 — CID 122304842

IUPAC1-methyl-N-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]triazole-4-carboxamide
SMILESCn1cc(C(=O)Nc2ccc(Oc3ccc(-n4cccn4)nn3)cc2)nn1
InChIInChI=1S/C17H14N8O2/c1-24-11-14(20-23-24)17(26)19-12-3-5-13(6-4-12)27-16-8-7-15(21-22-16)25-10-2-9-18-25/h2-11H,1H3,(H,19,26)
InChIKeyVDPGJGFAFQWBDY-UHFFFAOYSA-N
MW362.35 g/mol
LogP1.84
Rot. Bonds5

About 1-methyl-N-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]triazole-4-carboxamide

1-methyl-N-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]triazole-4-carboxamide (PubChem CID 122304842) has the molecular formula C17H14N8O2 and a molecular weight of 362.35 g/mol. Its IUPAC name is 1-methyl-N-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]triazole-4-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]triazole-4-carboxamide
PubChem CID122304842
Molecular FormulaC17H14N8O2
Molecular Weight362.35 g/mol
Exact Mass362.12
IUPAC Name1-methyl-N-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]triazole-4-carboxamide
SMILESCn1cc(C(=O)Nc2ccc(Oc3ccc(-n4cccn4)nn3)cc2)nn1
InChIInChI=1S/C17H14N8O2/c1-24-11-14(20-23-24)17(26)19-12-3-5-13(6-4-12)27-16-8-7-15(21-22-16)25-10-2-9-18-25/h2-11H,1H3,(H,19,26)
InChIKeyVDPGJGFAFQWBDY-UHFFFAOYSA-N
XLogP1.84
TPSA112.64 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.35
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

5-chloro-2-methoxy-N-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]benzamide
CID 122304662
3-methoxy-N-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]benzamide
CID 122304627
2-bromo-5-methoxy-N-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]benzamide
CID 122304881
N-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]-1,3-benzodioxole-5-carboxamide
CID 122304656
N-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]cyclobutanecarboxamide
CID 122304831
2-phenoxy-N-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]propanamide
CID 122304664
1-methyl-N-[4-[(6-pyrazol-1-ylpyrimidin-4-yl)amino]phenyl]triazole-4-carboxamide
CID 122290639
2-(4-fluorophenyl)-N-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]acetamide
CID 122304670
1-(2-fluorophenyl)-3-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]urea
CID 122304699
3-cyclopentyl-N-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]propanamide
CID 122304794
N-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]adamantane-1-carboxamide
CID 122304795
2-(1,3-dioxoisoindol-2-yl)-N-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]propanamide
CID 122304880

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]triazole-4-carboxamide?
The IUPAC name of 1-methyl-N-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]triazole-4-carboxamide (CID 122304842) is 1-methyl-N-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]triazole-4-carboxamide.
What is the SMILES notation for 1-methyl-N-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]triazole-4-carboxamide?
The canonical SMILES for 1-methyl-N-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]triazole-4-carboxamide is Cn1cc(C(=O)Nc2ccc(Oc3ccc(-n4cccn4)nn3)cc2)nn1.
What is the InChIKey of 1-methyl-N-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]triazole-4-carboxamide?
The InChIKey is VDPGJGFAFQWBDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N8O2/c1-24-11-14(20-23-24)17(26)19-12-3-5-13(6-4-12)27-16-8-7-15(21-22-16)25-10-2-9-18-25/h2-11H,1H3,(H,19,26).
What are the key properties of 1-methyl-N-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]triazole-4-carboxamide?
1-methyl-N-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]triazole-4-carboxamide has a molecular weight of 362.35 g/mol, XLogP of 1.84, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]triazole-4-carboxamide is sourced from PubChem (CID 122304842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).