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

C13H19N5 — CID 61378524

IUPAC4-methyl-3-[1-(2-methylbutan-2-yl)tetrazol-5-yl]aniline
SMILESCCC(C)(C)n1nnnc1-c1cc(N)ccc1C
InChIInChI=1S/C13H19N5/c1-5-13(3,4)18-12(15-16-17-18)11-8-10(14)7-6-9(11)2/h6-8H,5,14H2,1-4H3
InChIKeyJYXXCRCKRJIFEN-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.38
Rot. Bonds3

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

4-methyl-3-[1-(2-methylbutan-2-yl)tetrazol-5-yl]aniline (PubChem CID 61378524) has the molecular formula C13H19N5 and a molecular weight of 245.33 g/mol. Its IUPAC name is 4-methyl-3-[1-(2-methylbutan-2-yl)tetrazol-5-yl]aniline.

Molecular Properties

Compound Name4-methyl-3-[1-(2-methylbutan-2-yl)tetrazol-5-yl]aniline
PubChem CID61378524
Molecular FormulaC13H19N5
Molecular Weight245.33 g/mol
Exact Mass245.16
IUPAC Name4-methyl-3-[1-(2-methylbutan-2-yl)tetrazol-5-yl]aniline
SMILESCCC(C)(C)n1nnnc1-c1cc(N)ccc1C
InChIInChI=1S/C13H19N5/c1-5-13(3,4)18-12(15-16-17-18)11-8-10(14)7-6-9(11)2/h6-8H,5,14H2,1-4H3
InChIKeyJYXXCRCKRJIFEN-UHFFFAOYSA-N
XLogP2.38
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.38
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-methylbutan-2-yl)tetrazol-5-yl]aniline?
The IUPAC name of 4-methyl-3-[1-(2-methylbutan-2-yl)tetrazol-5-yl]aniline (CID 61378524) is 4-methyl-3-[1-(2-methylbutan-2-yl)tetrazol-5-yl]aniline.
What is the SMILES notation for 4-methyl-3-[1-(2-methylbutan-2-yl)tetrazol-5-yl]aniline?
The canonical SMILES for 4-methyl-3-[1-(2-methylbutan-2-yl)tetrazol-5-yl]aniline is CCC(C)(C)n1nnnc1-c1cc(N)ccc1C.
What is the InChIKey of 4-methyl-3-[1-(2-methylbutan-2-yl)tetrazol-5-yl]aniline?
The InChIKey is JYXXCRCKRJIFEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5/c1-5-13(3,4)18-12(15-16-17-18)11-8-10(14)7-6-9(11)2/h6-8H,5,14H2,1-4H3.
What are the key properties of 4-methyl-3-[1-(2-methylbutan-2-yl)tetrazol-5-yl]aniline?
4-methyl-3-[1-(2-methylbutan-2-yl)tetrazol-5-yl]aniline has a molecular weight of 245.33 g/mol, XLogP of 2.38, 3 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-methylbutan-2-yl)tetrazol-5-yl]aniline is sourced from PubChem (CID 61378524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).