3-[1-(2,3-dimethylphenyl)tetrazol-5-yl]aniline

C15H15N5 — CID 61351813

IUPAC3-[1-(2,3-dimethylphenyl)tetrazol-5-yl]aniline
SMILESCc1cccc(-n2nnnc2-c2cccc(N)c2)c1C
InChIInChI=1S/C15H15N5/c1-10-5-3-8-14(11(10)2)20-15(17-18-19-20)12-6-4-7-13(16)9-12/h3-9H,16H2,1-2H3
InChIKeyMHWKFCPDYWTCKF-UHFFFAOYSA-N
MW265.32 g/mol
LogP2.53
Rot. Bonds2

About 3-[1-(2,3-dimethylphenyl)tetrazol-5-yl]aniline

3-[1-(2,3-dimethylphenyl)tetrazol-5-yl]aniline (PubChem CID 61351813) has the molecular formula C15H15N5 and a molecular weight of 265.32 g/mol. Its IUPAC name is 3-[1-(2,3-dimethylphenyl)tetrazol-5-yl]aniline.

Molecular Properties

Compound Name3-[1-(2,3-dimethylphenyl)tetrazol-5-yl]aniline
PubChem CID61351813
Molecular FormulaC15H15N5
Molecular Weight265.32 g/mol
Exact Mass265.13
IUPAC Name3-[1-(2,3-dimethylphenyl)tetrazol-5-yl]aniline
SMILESCc1cccc(-n2nnnc2-c2cccc(N)c2)c1C
InChIInChI=1S/C15H15N5/c1-10-5-3-8-14(11(10)2)20-15(17-18-19-20)12-6-4-7-13(16)9-12/h3-9H,16H2,1-2H3
InChIKeyMHWKFCPDYWTCKF-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 3-[1-(2,3-dimethylphenyl)tetrazol-5-yl]aniline?
The IUPAC name of 3-[1-(2,3-dimethylphenyl)tetrazol-5-yl]aniline (CID 61351813) is 3-[1-(2,3-dimethylphenyl)tetrazol-5-yl]aniline.
What is the SMILES notation for 3-[1-(2,3-dimethylphenyl)tetrazol-5-yl]aniline?
The canonical SMILES for 3-[1-(2,3-dimethylphenyl)tetrazol-5-yl]aniline is Cc1cccc(-n2nnnc2-c2cccc(N)c2)c1C.
What is the InChIKey of 3-[1-(2,3-dimethylphenyl)tetrazol-5-yl]aniline?
The InChIKey is MHWKFCPDYWTCKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5/c1-10-5-3-8-14(11(10)2)20-15(17-18-19-20)12-6-4-7-13(16)9-12/h3-9H,16H2,1-2H3.
What are the key properties of 3-[1-(2,3-dimethylphenyl)tetrazol-5-yl]aniline?
3-[1-(2,3-dimethylphenyl)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 3-[1-(2,3-dimethylphenyl)tetrazol-5-yl]aniline is sourced from PubChem (CID 61351813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).