N-[(2-methyl-1H-imidazol-5-yl)methyl]-2-(5-methyl-1H-1,2,4-triazol-3-yl)aniline

C14H16N6 — CID 62742894

IUPACN-[(2-methyl-1H-imidazol-5-yl)methyl]-2-(5-methyl-1H-1,2,4-triazol-3-yl)aniline
SMILESCc1nc(-c2ccccc2NCc2cnc(C)[nH]2)n[nH]1
InChIInChI=1S/C14H16N6/c1-9-15-7-11(17-9)8-16-13-6-4-3-5-12(13)14-18-10(2)19-20-14/h3-7,16H,8H2,1-2H3,(H,15,17)(H,18,19,20)
InChIKeyXFVZNVICKKTVIC-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.42
Rot. Bonds4

About N-[(2-methyl-1H-imidazol-5-yl)methyl]-2-(5-methyl-1H-1,2,4-triazol-3-yl)aniline

N-[(2-methyl-1H-imidazol-5-yl)methyl]-2-(5-methyl-1H-1,2,4-triazol-3-yl)aniline (PubChem CID 62742894) has the molecular formula C14H16N6 and a molecular weight of 268.32 g/mol. Its IUPAC name is N-[(2-methyl-1H-imidazol-5-yl)methyl]-2-(5-methyl-1H-1,2,4-triazol-3-yl)aniline.

Molecular Properties

Compound NameN-[(2-methyl-1H-imidazol-5-yl)methyl]-2-(5-methyl-1H-1,2,4-triazol-3-yl)aniline
PubChem CID62742894
Molecular FormulaC14H16N6
Molecular Weight268.32 g/mol
Exact Mass268.14
IUPAC NameN-[(2-methyl-1H-imidazol-5-yl)methyl]-2-(5-methyl-1H-1,2,4-triazol-3-yl)aniline
SMILESCc1nc(-c2ccccc2NCc2cnc(C)[nH]2)n[nH]1
InChIInChI=1S/C14H16N6/c1-9-15-7-11(17-9)8-16-13-6-4-3-5-12(13)14-18-10(2)19-20-14/h3-7,16H,8H2,1-2H3,(H,15,17)(H,18,19,20)
InChIKeyXFVZNVICKKTVIC-UHFFFAOYSA-N
XLogP2.42
TPSA82.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2-methyl-1H-imidazol-5-yl)methyl]-2-(5-methyl-1H-1,2,4-triazol-3-yl)aniline?
The IUPAC name of N-[(2-methyl-1H-imidazol-5-yl)methyl]-2-(5-methyl-1H-1,2,4-triazol-3-yl)aniline (CID 62742894) is N-[(2-methyl-1H-imidazol-5-yl)methyl]-2-(5-methyl-1H-1,2,4-triazol-3-yl)aniline.
What is the SMILES notation for N-[(2-methyl-1H-imidazol-5-yl)methyl]-2-(5-methyl-1H-1,2,4-triazol-3-yl)aniline?
The canonical SMILES for N-[(2-methyl-1H-imidazol-5-yl)methyl]-2-(5-methyl-1H-1,2,4-triazol-3-yl)aniline is Cc1nc(-c2ccccc2NCc2cnc(C)[nH]2)n[nH]1.
What is the InChIKey of N-[(2-methyl-1H-imidazol-5-yl)methyl]-2-(5-methyl-1H-1,2,4-triazol-3-yl)aniline?
The InChIKey is XFVZNVICKKTVIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N6/c1-9-15-7-11(17-9)8-16-13-6-4-3-5-12(13)14-18-10(2)19-20-14/h3-7,16H,8H2,1-2H3,(H,15,17)(H,18,19,20).
What are the key properties of N-[(2-methyl-1H-imidazol-5-yl)methyl]-2-(5-methyl-1H-1,2,4-triazol-3-yl)aniline?
N-[(2-methyl-1H-imidazol-5-yl)methyl]-2-(5-methyl-1H-1,2,4-triazol-3-yl)aniline has a molecular weight of 268.32 g/mol, XLogP of 2.42, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methyl-1H-imidazol-5-yl)methyl]-2-(5-methyl-1H-1,2,4-triazol-3-yl)aniline is sourced from PubChem (CID 62742894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).