2,4-dimethyl-5-[1-(4-methylphenyl)tetrazol-5-yl]aniline

C16H17N5 — CID 102706325

IUPAC2,4-dimethyl-5-[1-(4-methylphenyl)tetrazol-5-yl]aniline
SMILESCc1ccc(-n2nnnc2-c2cc(N)c(C)cc2C)cc1
InChIInChI=1S/C16H17N5/c1-10-4-6-13(7-5-10)21-16(18-19-20-21)14-9-15(17)12(3)8-11(14)2/h4-9H,17H2,1-3H3
InChIKeyIUFAJTMBUKUELK-UHFFFAOYSA-N
MW279.35 g/mol
LogP2.84
Rot. Bonds2

About 2,4-dimethyl-5-[1-(4-methylphenyl)tetrazol-5-yl]aniline

2,4-dimethyl-5-[1-(4-methylphenyl)tetrazol-5-yl]aniline (PubChem CID 102706325) has the molecular formula C16H17N5 and a molecular weight of 279.35 g/mol. Its IUPAC name is 2,4-dimethyl-5-[1-(4-methylphenyl)tetrazol-5-yl]aniline.

Molecular Properties

Compound Name2,4-dimethyl-5-[1-(4-methylphenyl)tetrazol-5-yl]aniline
PubChem CID102706325
Molecular FormulaC16H17N5
Molecular Weight279.35 g/mol
Exact Mass279.15
IUPAC Name2,4-dimethyl-5-[1-(4-methylphenyl)tetrazol-5-yl]aniline
SMILESCc1ccc(-n2nnnc2-c2cc(N)c(C)cc2C)cc1
InChIInChI=1S/C16H17N5/c1-10-4-6-13(7-5-10)21-16(18-19-20-21)14-9-15(17)12(3)8-11(14)2/h4-9H,17H2,1-3H3
InChIKeyIUFAJTMBUKUELK-UHFFFAOYSA-N
XLogP2.84
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.35
LogP ≤ 52.84
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 2,4-dimethyl-5-[1-(4-methylphenyl)tetrazol-5-yl]aniline?
The IUPAC name of 2,4-dimethyl-5-[1-(4-methylphenyl)tetrazol-5-yl]aniline (CID 102706325) is 2,4-dimethyl-5-[1-(4-methylphenyl)tetrazol-5-yl]aniline.
What is the SMILES notation for 2,4-dimethyl-5-[1-(4-methylphenyl)tetrazol-5-yl]aniline?
The canonical SMILES for 2,4-dimethyl-5-[1-(4-methylphenyl)tetrazol-5-yl]aniline is Cc1ccc(-n2nnnc2-c2cc(N)c(C)cc2C)cc1.
What is the InChIKey of 2,4-dimethyl-5-[1-(4-methylphenyl)tetrazol-5-yl]aniline?
The InChIKey is IUFAJTMBUKUELK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5/c1-10-4-6-13(7-5-10)21-16(18-19-20-21)14-9-15(17)12(3)8-11(14)2/h4-9H,17H2,1-3H3.
What are the key properties of 2,4-dimethyl-5-[1-(4-methylphenyl)tetrazol-5-yl]aniline?
2,4-dimethyl-5-[1-(4-methylphenyl)tetrazol-5-yl]aniline has a molecular weight of 279.35 g/mol, XLogP of 2.84, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-5-[1-(4-methylphenyl)tetrazol-5-yl]aniline is sourced from PubChem (CID 102706325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).