4-methyl-3-[1-(2-methylphenyl)tetrazol-5-yl]aniline

C15H15N5 — CID 61376415

IUPAC4-methyl-3-[1-(2-methylphenyl)tetrazol-5-yl]aniline
SMILESCc1ccc(N)cc1-c1nnnn1-c1ccccc1C
InChIInChI=1S/C15H15N5/c1-10-7-8-12(16)9-13(10)15-17-18-19-20(15)14-6-4-3-5-11(14)2/h3-9H,16H2,1-2H3
InChIKeyDRNLINROGKHCMP-UHFFFAOYSA-N
MW265.32 g/mol
LogP2.53
Rot. Bonds2

About 4-methyl-3-[1-(2-methylphenyl)tetrazol-5-yl]aniline

4-methyl-3-[1-(2-methylphenyl)tetrazol-5-yl]aniline (PubChem CID 61376415) has the molecular formula C15H15N5 and a molecular weight of 265.32 g/mol. Its IUPAC name is 4-methyl-3-[1-(2-methylphenyl)tetrazol-5-yl]aniline.

Molecular Properties

Compound Name4-methyl-3-[1-(2-methylphenyl)tetrazol-5-yl]aniline
PubChem CID61376415
Molecular FormulaC15H15N5
Molecular Weight265.32 g/mol
Exact Mass265.13
IUPAC Name4-methyl-3-[1-(2-methylphenyl)tetrazol-5-yl]aniline
SMILESCc1ccc(N)cc1-c1nnnn1-c1ccccc1C
InChIInChI=1S/C15H15N5/c1-10-7-8-12(16)9-13(10)15-17-18-19-20(15)14-6-4-3-5-11(14)2/h3-9H,16H2,1-2H3
InChIKeyDRNLINROGKHCMP-UHFFFAOYSA-N
XLogP2.53
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-[1-(2-methylphenyl)tetrazol-5-yl]aniline?
The IUPAC name of 4-methyl-3-[1-(2-methylphenyl)tetrazol-5-yl]aniline (CID 61376415) is 4-methyl-3-[1-(2-methylphenyl)tetrazol-5-yl]aniline.
What is the SMILES notation for 4-methyl-3-[1-(2-methylphenyl)tetrazol-5-yl]aniline?
The canonical SMILES for 4-methyl-3-[1-(2-methylphenyl)tetrazol-5-yl]aniline is Cc1ccc(N)cc1-c1nnnn1-c1ccccc1C.
What is the InChIKey of 4-methyl-3-[1-(2-methylphenyl)tetrazol-5-yl]aniline?
The InChIKey is DRNLINROGKHCMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5/c1-10-7-8-12(16)9-13(10)15-17-18-19-20(15)14-6-4-3-5-11(14)2/h3-9H,16H2,1-2H3.
What are the key properties of 4-methyl-3-[1-(2-methylphenyl)tetrazol-5-yl]aniline?
4-methyl-3-[1-(2-methylphenyl)tetrazol-5-yl]aniline has a molecular weight of 265.32 g/mol, XLogP of 2.53, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-[1-(2-methylphenyl)tetrazol-5-yl]aniline is sourced from PubChem (CID 61376415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).