3-[1-(5,6-dimethyl-1,2,4-triazin-3-yl)pyrazol-4-yl]aniline

C14H14N6 — CID 114787430

IUPAC3-[1-(5,6-dimethyl-1,2,4-triazin-3-yl)pyrazol-4-yl]aniline
SMILESCc1nnc(-n2cc(-c3cccc(N)c3)cn2)nc1C
InChIInChI=1S/C14H14N6/c1-9-10(2)18-19-14(17-9)20-8-12(7-16-20)11-4-3-5-13(15)6-11/h3-8H,15H2,1-2H3
InChIKeyGCDBNZMWYDZUKX-UHFFFAOYSA-N
MW266.31 g/mol
LogP1.92
Rot. Bonds2

About 3-[1-(5,6-dimethyl-1,2,4-triazin-3-yl)pyrazol-4-yl]aniline

3-[1-(5,6-dimethyl-1,2,4-triazin-3-yl)pyrazol-4-yl]aniline (PubChem CID 114787430) has the molecular formula C14H14N6 and a molecular weight of 266.31 g/mol. Its IUPAC name is 3-[1-(5,6-dimethyl-1,2,4-triazin-3-yl)pyrazol-4-yl]aniline.

Molecular Properties

Compound Name3-[1-(5,6-dimethyl-1,2,4-triazin-3-yl)pyrazol-4-yl]aniline
PubChem CID114787430
Molecular FormulaC14H14N6
Molecular Weight266.31 g/mol
Exact Mass266.13
IUPAC Name3-[1-(5,6-dimethyl-1,2,4-triazin-3-yl)pyrazol-4-yl]aniline
SMILESCc1nnc(-n2cc(-c3cccc(N)c3)cn2)nc1C
InChIInChI=1S/C14H14N6/c1-9-10(2)18-19-14(17-9)20-8-12(7-16-20)11-4-3-5-13(15)6-11/h3-8H,15H2,1-2H3
InChIKeyGCDBNZMWYDZUKX-UHFFFAOYSA-N
XLogP1.92
TPSA82.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.31
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(5,6-dimethyl-1,2,4-triazin-3-yl)pyrazol-4-yl]aniline?
The IUPAC name of 3-[1-(5,6-dimethyl-1,2,4-triazin-3-yl)pyrazol-4-yl]aniline (CID 114787430) is 3-[1-(5,6-dimethyl-1,2,4-triazin-3-yl)pyrazol-4-yl]aniline.
What is the SMILES notation for 3-[1-(5,6-dimethyl-1,2,4-triazin-3-yl)pyrazol-4-yl]aniline?
The canonical SMILES for 3-[1-(5,6-dimethyl-1,2,4-triazin-3-yl)pyrazol-4-yl]aniline is Cc1nnc(-n2cc(-c3cccc(N)c3)cn2)nc1C.
What is the InChIKey of 3-[1-(5,6-dimethyl-1,2,4-triazin-3-yl)pyrazol-4-yl]aniline?
The InChIKey is GCDBNZMWYDZUKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N6/c1-9-10(2)18-19-14(17-9)20-8-12(7-16-20)11-4-3-5-13(15)6-11/h3-8H,15H2,1-2H3.
What are the key properties of 3-[1-(5,6-dimethyl-1,2,4-triazin-3-yl)pyrazol-4-yl]aniline?
3-[1-(5,6-dimethyl-1,2,4-triazin-3-yl)pyrazol-4-yl]aniline has a molecular weight of 266.31 g/mol, XLogP of 1.92, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(5,6-dimethyl-1,2,4-triazin-3-yl)pyrazol-4-yl]aniline is sourced from PubChem (CID 114787430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).