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

C15H18N6 — CID 106757445

IUPACN-[1-(2-methylpyrazol-3-yl)ethyl]-3-(4-methyl-1,2,4-triazol-3-yl)aniline
SMILESCC(Nc1cccc(-c2nncn2C)c1)c1ccnn1C
InChIInChI=1S/C15H18N6/c1-11(14-7-8-17-21(14)3)18-13-6-4-5-12(9-13)15-19-16-10-20(15)2/h4-11,18H,1-3H3
InChIKeyGCTVEMUHMJUFKR-UHFFFAOYSA-N
MW282.35 g/mol
LogP2.39
Rot. Bonds4

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

N-[1-(2-methylpyrazol-3-yl)ethyl]-3-(4-methyl-1,2,4-triazol-3-yl)aniline (PubChem CID 106757445) has the molecular formula C15H18N6 and a molecular weight of 282.35 g/mol. Its IUPAC name is N-[1-(2-methylpyrazol-3-yl)ethyl]-3-(4-methyl-1,2,4-triazol-3-yl)aniline.

Molecular Properties

Compound NameN-[1-(2-methylpyrazol-3-yl)ethyl]-3-(4-methyl-1,2,4-triazol-3-yl)aniline
PubChem CID106757445
Molecular FormulaC15H18N6
Molecular Weight282.35 g/mol
Exact Mass282.16
IUPAC NameN-[1-(2-methylpyrazol-3-yl)ethyl]-3-(4-methyl-1,2,4-triazol-3-yl)aniline
SMILESCC(Nc1cccc(-c2nncn2C)c1)c1ccnn1C
InChIInChI=1S/C15H18N6/c1-11(14-7-8-17-21(14)3)18-13-6-4-5-12(9-13)15-19-16-10-20(15)2/h4-11,18H,1-3H3
InChIKeyGCTVEMUHMJUFKR-UHFFFAOYSA-N
XLogP2.39
TPSA60.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
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-(2-methylpyrazol-3-yl)ethyl]-3-(4-methyl-1,2,4-triazol-3-yl)aniline?
The IUPAC name of N-[1-(2-methylpyrazol-3-yl)ethyl]-3-(4-methyl-1,2,4-triazol-3-yl)aniline (CID 106757445) is N-[1-(2-methylpyrazol-3-yl)ethyl]-3-(4-methyl-1,2,4-triazol-3-yl)aniline.
What is the SMILES notation for N-[1-(2-methylpyrazol-3-yl)ethyl]-3-(4-methyl-1,2,4-triazol-3-yl)aniline?
The canonical SMILES for N-[1-(2-methylpyrazol-3-yl)ethyl]-3-(4-methyl-1,2,4-triazol-3-yl)aniline is CC(Nc1cccc(-c2nncn2C)c1)c1ccnn1C.
What is the InChIKey of N-[1-(2-methylpyrazol-3-yl)ethyl]-3-(4-methyl-1,2,4-triazol-3-yl)aniline?
The InChIKey is GCTVEMUHMJUFKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N6/c1-11(14-7-8-17-21(14)3)18-13-6-4-5-12(9-13)15-19-16-10-20(15)2/h4-11,18H,1-3H3.
What are the key properties of N-[1-(2-methylpyrazol-3-yl)ethyl]-3-(4-methyl-1,2,4-triazol-3-yl)aniline?
N-[1-(2-methylpyrazol-3-yl)ethyl]-3-(4-methyl-1,2,4-triazol-3-yl)aniline has a molecular weight of 282.35 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methylpyrazol-3-yl)ethyl]-3-(4-methyl-1,2,4-triazol-3-yl)aniline is sourced from PubChem (CID 106757445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).