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

C15H16N6 — CID 62748416

IUPACN-[(2-methylpyrimidin-4-yl)methyl]-3-(4-methyl-1,2,4-triazol-3-yl)aniline
SMILESCc1nccc(CNc2cccc(-c3nncn3C)c2)n1
InChIInChI=1S/C15H16N6/c1-11-16-7-6-14(19-11)9-17-13-5-3-4-12(8-13)15-20-18-10-21(15)2/h3-8,10,17H,9H2,1-2H3
InChIKeyYUPMPIIIXLHEAK-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.19
Rot. Bonds4

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

N-[(2-methylpyrimidin-4-yl)methyl]-3-(4-methyl-1,2,4-triazol-3-yl)aniline (PubChem CID 62748416) has the molecular formula C15H16N6 and a molecular weight of 280.33 g/mol. Its IUPAC name is N-[(2-methylpyrimidin-4-yl)methyl]-3-(4-methyl-1,2,4-triazol-3-yl)aniline.

Molecular Properties

Compound NameN-[(2-methylpyrimidin-4-yl)methyl]-3-(4-methyl-1,2,4-triazol-3-yl)aniline
PubChem CID62748416
Molecular FormulaC15H16N6
Molecular Weight280.33 g/mol
Exact Mass280.14
IUPAC NameN-[(2-methylpyrimidin-4-yl)methyl]-3-(4-methyl-1,2,4-triazol-3-yl)aniline
SMILESCc1nccc(CNc2cccc(-c3nncn3C)c2)n1
InChIInChI=1S/C15H16N6/c1-11-16-7-6-14(19-11)9-17-13-5-3-4-12(8-13)15-20-18-10-21(15)2/h3-8,10,17H,9H2,1-2H3
InChIKeyYUPMPIIIXLHEAK-UHFFFAOYSA-N
XLogP2.19
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(2-methylpyrimidin-4-yl)methyl]-3-(4-methyl-1,2,4-triazol-3-yl)aniline?
The IUPAC name of N-[(2-methylpyrimidin-4-yl)methyl]-3-(4-methyl-1,2,4-triazol-3-yl)aniline (CID 62748416) is N-[(2-methylpyrimidin-4-yl)methyl]-3-(4-methyl-1,2,4-triazol-3-yl)aniline.
What is the SMILES notation for N-[(2-methylpyrimidin-4-yl)methyl]-3-(4-methyl-1,2,4-triazol-3-yl)aniline?
The canonical SMILES for N-[(2-methylpyrimidin-4-yl)methyl]-3-(4-methyl-1,2,4-triazol-3-yl)aniline is Cc1nccc(CNc2cccc(-c3nncn3C)c2)n1.
What is the InChIKey of N-[(2-methylpyrimidin-4-yl)methyl]-3-(4-methyl-1,2,4-triazol-3-yl)aniline?
The InChIKey is YUPMPIIIXLHEAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N6/c1-11-16-7-6-14(19-11)9-17-13-5-3-4-12(8-13)15-20-18-10-21(15)2/h3-8,10,17H,9H2,1-2H3.
What are the key properties of N-[(2-methylpyrimidin-4-yl)methyl]-3-(4-methyl-1,2,4-triazol-3-yl)aniline?
N-[(2-methylpyrimidin-4-yl)methyl]-3-(4-methyl-1,2,4-triazol-3-yl)aniline has a molecular weight of 280.33 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylpyrimidin-4-yl)methyl]-3-(4-methyl-1,2,4-triazol-3-yl)aniline is sourced from PubChem (CID 62748416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).