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

C12H15Cl2N5 — CID 55108765

IUPAC2,3-dichloro-5-[1-(2-methylbutyl)tetrazol-5-yl]aniline
SMILESCCC(C)Cn1nnnc1-c1cc(N)c(Cl)c(Cl)c1
InChIInChI=1S/C12H15Cl2N5/c1-3-7(2)6-19-12(16-17-18-19)8-4-9(13)11(14)10(15)5-8/h4-5,7H,3,6,15H2,1-2H3
InChIKeyPSFIKVLRCFSVNF-UHFFFAOYSA-N
MW300.19 g/mol
LogP3.28
Rot. Bonds4

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

2,3-dichloro-5-[1-(2-methylbutyl)tetrazol-5-yl]aniline (PubChem CID 55108765) has the molecular formula C12H15Cl2N5 and a molecular weight of 300.19 g/mol. Its IUPAC name is 2,3-dichloro-5-[1-(2-methylbutyl)tetrazol-5-yl]aniline.

Molecular Properties

Compound Name2,3-dichloro-5-[1-(2-methylbutyl)tetrazol-5-yl]aniline
PubChem CID55108765
Molecular FormulaC12H15Cl2N5
Molecular Weight300.19 g/mol
Exact Mass299.07
IUPAC Name2,3-dichloro-5-[1-(2-methylbutyl)tetrazol-5-yl]aniline
SMILESCCC(C)Cn1nnnc1-c1cc(N)c(Cl)c(Cl)c1
InChIInChI=1S/C12H15Cl2N5/c1-3-7(2)6-19-12(16-17-18-19)8-4-9(13)11(14)10(15)5-8/h4-5,7H,3,6,15H2,1-2H3
InChIKeyPSFIKVLRCFSVNF-UHFFFAOYSA-N
XLogP3.28
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.19
LogP ≤ 53.28
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 2,3-dichloro-5-[1-(2-methylbutyl)tetrazol-5-yl]aniline?
The IUPAC name of 2,3-dichloro-5-[1-(2-methylbutyl)tetrazol-5-yl]aniline (CID 55108765) is 2,3-dichloro-5-[1-(2-methylbutyl)tetrazol-5-yl]aniline.
What is the SMILES notation for 2,3-dichloro-5-[1-(2-methylbutyl)tetrazol-5-yl]aniline?
The canonical SMILES for 2,3-dichloro-5-[1-(2-methylbutyl)tetrazol-5-yl]aniline is CCC(C)Cn1nnnc1-c1cc(N)c(Cl)c(Cl)c1.
What is the InChIKey of 2,3-dichloro-5-[1-(2-methylbutyl)tetrazol-5-yl]aniline?
The InChIKey is PSFIKVLRCFSVNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Cl2N5/c1-3-7(2)6-19-12(16-17-18-19)8-4-9(13)11(14)10(15)5-8/h4-5,7H,3,6,15H2,1-2H3.
What are the key properties of 2,3-dichloro-5-[1-(2-methylbutyl)tetrazol-5-yl]aniline?
2,3-dichloro-5-[1-(2-methylbutyl)tetrazol-5-yl]aniline has a molecular weight of 300.19 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-5-[1-(2-methylbutyl)tetrazol-5-yl]aniline is sourced from PubChem (CID 55108765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).