N-[[1-(3-anilinophenyl)triazol-4-yl]methyl]-2-methylpyridin-4-amine

C21H20N6 — CID 170210907

IUPACN-[[1-(3-anilinophenyl)triazol-4-yl]methyl]-2-methylpyridin-4-amine
SMILESCc1cc(NCc2cn(-c3cccc(Nc4ccccc4)c3)nn2)ccn1
InChIInChI=1S/C21H20N6/c1-16-12-18(10-11-22-16)23-14-20-15-27(26-25-20)21-9-5-8-19(13-21)24-17-6-3-2-4-7-17/h2-13,15,24H,14H2,1H3,(H,22,23)
InChIKeyVGIUVRXBLSDTHY-UHFFFAOYSA-N
MW356.43 g/mol
LogP4.33
Rot. Bonds6

About N-[[1-(3-anilinophenyl)triazol-4-yl]methyl]-2-methylpyridin-4-amine

N-[[1-(3-anilinophenyl)triazol-4-yl]methyl]-2-methylpyridin-4-amine (PubChem CID 170210907) has the molecular formula C21H20N6 and a molecular weight of 356.43 g/mol. Its IUPAC name is N-[[1-(3-anilinophenyl)triazol-4-yl]methyl]-2-methylpyridin-4-amine.

Molecular Properties

Compound NameN-[[1-(3-anilinophenyl)triazol-4-yl]methyl]-2-methylpyridin-4-amine
PubChem CID170210907
Molecular FormulaC21H20N6
Molecular Weight356.43 g/mol
Exact Mass356.17
IUPAC NameN-[[1-(3-anilinophenyl)triazol-4-yl]methyl]-2-methylpyridin-4-amine
SMILESCc1cc(NCc2cn(-c3cccc(Nc4ccccc4)c3)nn2)ccn1
InChIInChI=1S/C21H20N6/c1-16-12-18(10-11-22-16)23-14-20-15-27(26-25-20)21-9-5-8-19(13-21)24-17-6-3-2-4-7-17/h2-13,15,24H,14H2,1H3,(H,22,23)
InChIKeyVGIUVRXBLSDTHY-UHFFFAOYSA-N
XLogP4.33
TPSA67.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(3-anilinophenyl)triazol-4-yl]methyl]-2-methylpyridin-4-amine?
The IUPAC name of N-[[1-(3-anilinophenyl)triazol-4-yl]methyl]-2-methylpyridin-4-amine (CID 170210907) is N-[[1-(3-anilinophenyl)triazol-4-yl]methyl]-2-methylpyridin-4-amine.
What is the SMILES notation for N-[[1-(3-anilinophenyl)triazol-4-yl]methyl]-2-methylpyridin-4-amine?
The canonical SMILES for N-[[1-(3-anilinophenyl)triazol-4-yl]methyl]-2-methylpyridin-4-amine is Cc1cc(NCc2cn(-c3cccc(Nc4ccccc4)c3)nn2)ccn1.
What is the InChIKey of N-[[1-(3-anilinophenyl)triazol-4-yl]methyl]-2-methylpyridin-4-amine?
The InChIKey is VGIUVRXBLSDTHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N6/c1-16-12-18(10-11-22-16)23-14-20-15-27(26-25-20)21-9-5-8-19(13-21)24-17-6-3-2-4-7-17/h2-13,15,24H,14H2,1H3,(H,22,23).
What are the key properties of N-[[1-(3-anilinophenyl)triazol-4-yl]methyl]-2-methylpyridin-4-amine?
N-[[1-(3-anilinophenyl)triazol-4-yl]methyl]-2-methylpyridin-4-amine has a molecular weight of 356.43 g/mol, XLogP of 4.33, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3-anilinophenyl)triazol-4-yl]methyl]-2-methylpyridin-4-amine is sourced from PubChem (CID 170210907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).