3-pyrazol-1-yl-N-[3-(1,2,4-triazol-4-yl)phenyl]aniline

C17H14N6 — CID 162626213

IUPAC3-pyrazol-1-yl-N-[3-(1,2,4-triazol-4-yl)phenyl]aniline
SMILESc1cc(Nc2cccc(-n3cccn3)c2)cc(-n2cnnc2)c1
InChIInChI=1S/C17H14N6/c1-4-14(10-16(6-1)22-12-18-19-13-22)21-15-5-2-7-17(11-15)23-9-3-8-20-23/h1-13,21H
InChIKeyAZIPNSCOEBRAKE-UHFFFAOYSA-N
MW302.34 g/mol
LogP3.20
Rot. Bonds4

About 3-pyrazol-1-yl-N-[3-(1,2,4-triazol-4-yl)phenyl]aniline

3-pyrazol-1-yl-N-[3-(1,2,4-triazol-4-yl)phenyl]aniline (PubChem CID 162626213) has the molecular formula C17H14N6 and a molecular weight of 302.34 g/mol. Its IUPAC name is 3-pyrazol-1-yl-N-[3-(1,2,4-triazol-4-yl)phenyl]aniline.

Molecular Properties

Compound Name3-pyrazol-1-yl-N-[3-(1,2,4-triazol-4-yl)phenyl]aniline
PubChem CID162626213
Molecular FormulaC17H14N6
Molecular Weight302.34 g/mol
Exact Mass302.13
IUPAC Name3-pyrazol-1-yl-N-[3-(1,2,4-triazol-4-yl)phenyl]aniline
SMILESc1cc(Nc2cccc(-n3cccn3)c2)cc(-n2cnnc2)c1
InChIInChI=1S/C17H14N6/c1-4-14(10-16(6-1)22-12-18-19-13-22)21-15-5-2-7-17(11-15)23-9-3-8-20-23/h1-13,21H
InChIKeyAZIPNSCOEBRAKE-UHFFFAOYSA-N
XLogP3.20
TPSA60.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.34
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-pyrazol-1-yl-N-[3-(1,2,4-triazol-4-yl)phenyl]aniline?
The IUPAC name of 3-pyrazol-1-yl-N-[3-(1,2,4-triazol-4-yl)phenyl]aniline (CID 162626213) is 3-pyrazol-1-yl-N-[3-(1,2,4-triazol-4-yl)phenyl]aniline.
What is the SMILES notation for 3-pyrazol-1-yl-N-[3-(1,2,4-triazol-4-yl)phenyl]aniline?
The canonical SMILES for 3-pyrazol-1-yl-N-[3-(1,2,4-triazol-4-yl)phenyl]aniline is c1cc(Nc2cccc(-n3cccn3)c2)cc(-n2cnnc2)c1.
What is the InChIKey of 3-pyrazol-1-yl-N-[3-(1,2,4-triazol-4-yl)phenyl]aniline?
The InChIKey is AZIPNSCOEBRAKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N6/c1-4-14(10-16(6-1)22-12-18-19-13-22)21-15-5-2-7-17(11-15)23-9-3-8-20-23/h1-13,21H.
What are the key properties of 3-pyrazol-1-yl-N-[3-(1,2,4-triazol-4-yl)phenyl]aniline?
3-pyrazol-1-yl-N-[3-(1,2,4-triazol-4-yl)phenyl]aniline has a molecular weight of 302.34 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyrazol-1-yl-N-[3-(1,2,4-triazol-4-yl)phenyl]aniline is sourced from PubChem (CID 162626213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).