N-[(1-ethenylpyrazol-4-yl)methyl]-3-(4-methyl-1,2,4-triazol-3-yl)aniline

C15H16N6 — CID 106936294

IUPACN-[(1-ethenylpyrazol-4-yl)methyl]-3-(4-methyl-1,2,4-triazol-3-yl)aniline
SMILESC=Cn1cc(CNc2cccc(-c3nncn3C)c2)cn1
InChIInChI=1S/C15H16N6/c1-3-21-10-12(9-18-21)8-16-14-6-4-5-13(7-14)15-19-17-11-20(15)2/h3-7,9-11,16H,1,8H2,2H3
InChIKeyHVSKWMMPYVCZOZ-UHFFFAOYSA-N
MW280.34 g/mol
LogP2.39
Rot. Bonds5

About N-[(1-ethenylpyrazol-4-yl)methyl]-3-(4-methyl-1,2,4-triazol-3-yl)aniline

N-[(1-ethenylpyrazol-4-yl)methyl]-3-(4-methyl-1,2,4-triazol-3-yl)aniline (PubChem CID 106936294) has the molecular formula C15H16N6 and a molecular weight of 280.34 g/mol. Its IUPAC name is N-[(1-ethenylpyrazol-4-yl)methyl]-3-(4-methyl-1,2,4-triazol-3-yl)aniline.

Molecular Properties

Compound NameN-[(1-ethenylpyrazol-4-yl)methyl]-3-(4-methyl-1,2,4-triazol-3-yl)aniline
PubChem CID106936294
Molecular FormulaC15H16N6
Molecular Weight280.34 g/mol
Exact Mass280.14
IUPAC NameN-[(1-ethenylpyrazol-4-yl)methyl]-3-(4-methyl-1,2,4-triazol-3-yl)aniline
SMILESC=Cn1cc(CNc2cccc(-c3nncn3C)c2)cn1
InChIInChI=1S/C15H16N6/c1-3-21-10-12(9-18-21)8-16-14-6-4-5-13(7-14)15-19-17-11-20(15)2/h3-7,9-11,16H,1,8H2,2H3
InChIKeyHVSKWMMPYVCZOZ-UHFFFAOYSA-N
XLogP2.39
TPSA60.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.34
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(1-ethenylpyrazol-4-yl)methyl]-3-(4-methyl-1,2,4-triazol-3-yl)aniline?
The IUPAC name of N-[(1-ethenylpyrazol-4-yl)methyl]-3-(4-methyl-1,2,4-triazol-3-yl)aniline (CID 106936294) is N-[(1-ethenylpyrazol-4-yl)methyl]-3-(4-methyl-1,2,4-triazol-3-yl)aniline.
What is the SMILES notation for N-[(1-ethenylpyrazol-4-yl)methyl]-3-(4-methyl-1,2,4-triazol-3-yl)aniline?
The canonical SMILES for N-[(1-ethenylpyrazol-4-yl)methyl]-3-(4-methyl-1,2,4-triazol-3-yl)aniline is C=Cn1cc(CNc2cccc(-c3nncn3C)c2)cn1.
What is the InChIKey of N-[(1-ethenylpyrazol-4-yl)methyl]-3-(4-methyl-1,2,4-triazol-3-yl)aniline?
The InChIKey is HVSKWMMPYVCZOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N6/c1-3-21-10-12(9-18-21)8-16-14-6-4-5-13(7-14)15-19-17-11-20(15)2/h3-7,9-11,16H,1,8H2,2H3.
What are the key properties of N-[(1-ethenylpyrazol-4-yl)methyl]-3-(4-methyl-1,2,4-triazol-3-yl)aniline?
N-[(1-ethenylpyrazol-4-yl)methyl]-3-(4-methyl-1,2,4-triazol-3-yl)aniline has a molecular weight of 280.34 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethenylpyrazol-4-yl)methyl]-3-(4-methyl-1,2,4-triazol-3-yl)aniline is sourced from PubChem (CID 106936294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).