2-[1-(6-methylpyridazin-3-yl)pyrazol-4-yl]aniline

C14H13N5 — CID 63338130

IUPAC2-[1-(6-methylpyridazin-3-yl)pyrazol-4-yl]aniline
SMILESCc1ccc(-n2cc(-c3ccccc3N)cn2)nn1
InChIInChI=1S/C14H13N5/c1-10-6-7-14(18-17-10)19-9-11(8-16-19)12-4-2-3-5-13(12)15/h2-9H,15H2,1H3
InChIKeyGTRAFCWHHHBEOB-UHFFFAOYSA-N
MW251.29 g/mol
LogP2.22
Rot. Bonds2

About 2-[1-(6-methylpyridazin-3-yl)pyrazol-4-yl]aniline

2-[1-(6-methylpyridazin-3-yl)pyrazol-4-yl]aniline (PubChem CID 63338130) has the molecular formula C14H13N5 and a molecular weight of 251.29 g/mol. Its IUPAC name is 2-[1-(6-methylpyridazin-3-yl)pyrazol-4-yl]aniline.

Molecular Properties

Compound Name2-[1-(6-methylpyridazin-3-yl)pyrazol-4-yl]aniline
PubChem CID63338130
Molecular FormulaC14H13N5
Molecular Weight251.29 g/mol
Exact Mass251.12
IUPAC Name2-[1-(6-methylpyridazin-3-yl)pyrazol-4-yl]aniline
SMILESCc1ccc(-n2cc(-c3ccccc3N)cn2)nn1
InChIInChI=1S/C14H13N5/c1-10-6-7-14(18-17-10)19-9-11(8-16-19)12-4-2-3-5-13(12)15/h2-9H,15H2,1H3
InChIKeyGTRAFCWHHHBEOB-UHFFFAOYSA-N
XLogP2.22
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(6-methylpyridazin-3-yl)pyrazol-4-yl]aniline?
The IUPAC name of 2-[1-(6-methylpyridazin-3-yl)pyrazol-4-yl]aniline (CID 63338130) is 2-[1-(6-methylpyridazin-3-yl)pyrazol-4-yl]aniline.
What is the SMILES notation for 2-[1-(6-methylpyridazin-3-yl)pyrazol-4-yl]aniline?
The canonical SMILES for 2-[1-(6-methylpyridazin-3-yl)pyrazol-4-yl]aniline is Cc1ccc(-n2cc(-c3ccccc3N)cn2)nn1.
What is the InChIKey of 2-[1-(6-methylpyridazin-3-yl)pyrazol-4-yl]aniline?
The InChIKey is GTRAFCWHHHBEOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5/c1-10-6-7-14(18-17-10)19-9-11(8-16-19)12-4-2-3-5-13(12)15/h2-9H,15H2,1H3.
What are the key properties of 2-[1-(6-methylpyridazin-3-yl)pyrazol-4-yl]aniline?
2-[1-(6-methylpyridazin-3-yl)pyrazol-4-yl]aniline has a molecular weight of 251.29 g/mol, XLogP of 2.22, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(6-methylpyridazin-3-yl)pyrazol-4-yl]aniline is sourced from PubChem (CID 63338130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).